This commit was generated by cvs2svn to compensate for changes in r2,

which included commits to RCS files with non-trunk default branches.


git-svn-id: http://svn.aei.mpg.de/numrel/AEIThorns/AEILocalInterp/trunk@3 0f49ee68-0e4f-0410-9b9c-b2c123ded7ef

99 files changed, 9255 insertions, 0 deletions

diff --git a/src/common/1d.cube.size2/coeffs-dcl.h b/src/common/1d.cube.size2/coeffs-dcl.h
new file mode 100644
index 0000000..c3406db
--- /dev/null
+++ b/src/common/1d.cube.size2/coeffs-dcl.h
@@ -0,0 +1,2 @@
+fp coeff_0;
+fp coeff_p1;
diff --git a/src/common/1d.cube.size2/data-dcl.h b/src/common/1d.cube.size2/data-dcl.h
new file mode 100644
index 0000000..1e82c48
--- /dev/null
+++ b/src/common/1d.cube.size2/data-dcl.h
@@ -0,0 +1,2 @@
+fp data_0;
+fp data_p1;
diff --git a/src/common/1d.cube.size2/evaluate-molecule.c b/src/common/1d.cube.size2/evaluate-molecule.c
new file mode 100644
index 0000000..873eecb
--- /dev/null
+++ b/src/common/1d.cube.size2/evaluate-molecule.c
@@ -0,0 +1,2 @@
+    coeffs->coeff_0*data->data_0
+  + coeffs->coeff_p1*data->data_p1;
diff --git a/src/common/1d.cube.size2/load-data.c b/src/common/1d.cube.size2/load-data.c
new file mode 100644
index 0000000..c6bb0e3
--- /dev/null
+++ b/src/common/1d.cube.size2/load-data.c
@@ -0,0 +1,2 @@
+data->data_0 = DATA(0);
+data->data_p1 = DATA(1);
diff --git a/src/common/1d.cube.size2/store-coeffs.c b/src/common/1d.cube.size2/store-coeffs.c
new file mode 100644
index 0000000..6117dc3
--- /dev/null
+++ b/src/common/1d.cube.size2/store-coeffs.c
@@ -0,0 +1,2 @@
+COEFF(0) = factor * coeffs->coeff_0;
+COEFF(1) = factor * coeffs->coeff_p1;
diff --git a/src/common/1d.cube.size3/coeffs-dcl.h b/src/common/1d.cube.size3/coeffs-dcl.h
new file mode 100644
index 0000000..0dd24dc
--- /dev/null
+++ b/src/common/1d.cube.size3/coeffs-dcl.h
@@ -0,0 +1,3 @@
+fp coeff_m1;
+fp coeff_0;
+fp coeff_p1;
diff --git a/src/common/1d.cube.size3/data-dcl.h b/src/common/1d.cube.size3/data-dcl.h
new file mode 100644
index 0000000..c82ad9b
--- /dev/null
+++ b/src/common/1d.cube.size3/data-dcl.h
@@ -0,0 +1,3 @@
+fp data_m1;
+fp data_0;
+fp data_p1;
diff --git a/src/common/1d.cube.size3/evaluate-molecule.c b/src/common/1d.cube.size3/evaluate-molecule.c
new file mode 100644
index 0000000..eef1e44
--- /dev/null
+++ b/src/common/1d.cube.size3/evaluate-molecule.c
@@ -0,0 +1,3 @@
+    coeffs->coeff_m1*data->data_m1
+  + coeffs->coeff_0*data->data_0
+  + coeffs->coeff_p1*data->data_p1;
diff --git a/src/common/1d.cube.size3/load-data.c b/src/common/1d.cube.size3/load-data.c
new file mode 100644
index 0000000..42b7f8c
--- /dev/null
+++ b/src/common/1d.cube.size3/load-data.c
@@ -0,0 +1,3 @@
+data->data_m1 = DATA(-1);
+data->data_0 = DATA(0);
+data->data_p1 = DATA(1);
diff --git a/src/common/1d.cube.size3/store-coeffs.c b/src/common/1d.cube.size3/store-coeffs.c
new file mode 100644
index 0000000..2067270
--- /dev/null
+++ b/src/common/1d.cube.size3/store-coeffs.c
@@ -0,0 +1,3 @@
+COEFF(-1) = factor * coeffs->coeff_m1;
+COEFF(0) = factor * coeffs->coeff_0;
+COEFF(1) = factor * coeffs->coeff_p1;
diff --git a/src/common/1d.cube.size4/coeffs-dcl.h b/src/common/1d.cube.size4/coeffs-dcl.h
new file mode 100644
index 0000000..40576b6
--- /dev/null
+++ b/src/common/1d.cube.size4/coeffs-dcl.h
@@ -0,0 +1,4 @@
+fp coeff_m1;
+fp coeff_0;
+fp coeff_p1;
+fp coeff_p2;
diff --git a/src/common/1d.cube.size4/data-dcl.h b/src/common/1d.cube.size4/data-dcl.h
new file mode 100644
index 0000000..3fe13fa
--- /dev/null
+++ b/src/common/1d.cube.size4/data-dcl.h
@@ -0,0 +1,4 @@
+fp data_m1;
+fp data_0;
+fp data_p1;
+fp data_p2;
diff --git a/src/common/1d.cube.size4/evaluate-molecule.c b/src/common/1d.cube.size4/evaluate-molecule.c
new file mode 100644
index 0000000..efc10e9
--- /dev/null
+++ b/src/common/1d.cube.size4/evaluate-molecule.c
@@ -0,0 +1,4 @@
+    coeffs->coeff_m1*data->data_m1
+  + coeffs->coeff_0*data->data_0
+  + coeffs->coeff_p1*data->data_p1
+  + coeffs->coeff_p2*data->data_p2;
diff --git a/src/common/1d.cube.size4/load-data.c b/src/common/1d.cube.size4/load-data.c
new file mode 100644
index 0000000..c38e68d
--- /dev/null
+++ b/src/common/1d.cube.size4/load-data.c
@@ -0,0 +1,4 @@
+data->data_m1 = DATA(-1);
+data->data_0 = DATA(0);
+data->data_p1 = DATA(1);
+data->data_p2 = DATA(2);
diff --git a/src/common/1d.cube.size4/store-coeffs.c b/src/common/1d.cube.size4/store-coeffs.c
new file mode 100644
index 0000000..5e73681
--- /dev/null
+++ b/src/common/1d.cube.size4/store-coeffs.c
@@ -0,0 +1,4 @@
+COEFF(-1) = factor * coeffs->coeff_m1;
+COEFF(0) = factor * coeffs->coeff_0;
+COEFF(1) = factor * coeffs->coeff_p1;
+COEFF(2) = factor * coeffs->coeff_p2;
diff --git a/src/common/1d.cube.size5/coeffs-dcl.h b/src/common/1d.cube.size5/coeffs-dcl.h
new file mode 100644
index 0000000..bce2488
--- /dev/null
+++ b/src/common/1d.cube.size5/coeffs-dcl.h
@@ -0,0 +1,5 @@
+fp coeff_m2;
+fp coeff_m1;
+fp coeff_0;
+fp coeff_p1;
+fp coeff_p2;
diff --git a/src/common/1d.cube.size5/data-dcl.h b/src/common/1d.cube.size5/data-dcl.h
new file mode 100644
index 0000000..4308108
--- /dev/null
+++ b/src/common/1d.cube.size5/data-dcl.h
@@ -0,0 +1,5 @@
+fp data_m2;
+fp data_m1;
+fp data_0;
+fp data_p1;
+fp data_p2;
diff --git a/src/common/1d.cube.size5/evaluate-molecule.c b/src/common/1d.cube.size5/evaluate-molecule.c
new file mode 100644
index 0000000..e4d7c70
--- /dev/null
+++ b/src/common/1d.cube.size5/evaluate-molecule.c
@@ -0,0 +1,5 @@
+    coeffs->coeff_m2*data->data_m2
+  + coeffs->coeff_m1*data->data_m1
+  + coeffs->coeff_0*data->data_0
+  + coeffs->coeff_p1*data->data_p1
+  + coeffs->coeff_p2*data->data_p2;
diff --git a/src/common/1d.cube.size5/load-data.c b/src/common/1d.cube.size5/load-data.c
new file mode 100644
index 0000000..2a6e8c7
--- /dev/null
+++ b/src/common/1d.cube.size5/load-data.c
@@ -0,0 +1,5 @@
+data->data_m2 = DATA(-2);
+data->data_m1 = DATA(-1);
+data->data_0 = DATA(0);
+data->data_p1 = DATA(1);
+data->data_p2 = DATA(2);
diff --git a/src/common/1d.cube.size5/store-coeffs.c b/src/common/1d.cube.size5/store-coeffs.c
new file mode 100644
index 0000000..ec2e17b
--- /dev/null
+++ b/src/common/1d.cube.size5/store-coeffs.c
@@ -0,0 +1,5 @@
+COEFF(-2) = factor * coeffs->coeff_m2;
+COEFF(-1) = factor * coeffs->coeff_m1;
+COEFF(0) = factor * coeffs->coeff_0;
+COEFF(1) = factor * coeffs->coeff_p1;
+COEFF(2) = factor * coeffs->coeff_p2;
diff --git a/src/common/1d.cube.size6/coeffs-dcl.h b/src/common/1d.cube.size6/coeffs-dcl.h
new file mode 100644
index 0000000..90d978c
--- /dev/null
+++ b/src/common/1d.cube.size6/coeffs-dcl.h
@@ -0,0 +1,6 @@
+fp coeff_m2;
+fp coeff_m1;
+fp coeff_0;
+fp coeff_p1;
+fp coeff_p2;
+fp coeff_p3;
diff --git a/src/common/1d.cube.size6/data-dcl.h b/src/common/1d.cube.size6/data-dcl.h
new file mode 100644
index 0000000..301e199
--- /dev/null
+++ b/src/common/1d.cube.size6/data-dcl.h
@@ -0,0 +1,6 @@
+fp data_m2;
+fp data_m1;
+fp data_0;
+fp data_p1;
+fp data_p2;
+fp data_p3;
diff --git a/src/common/1d.cube.size6/evaluate-molecule.c b/src/common/1d.cube.size6/evaluate-molecule.c
new file mode 100644
index 0000000..9e6e3c4
--- /dev/null
+++ b/src/common/1d.cube.size6/evaluate-molecule.c
@@ -0,0 +1,6 @@
+    coeffs->coeff_m2*data->data_m2
+  + coeffs->coeff_m1*data->data_m1
+  + coeffs->coeff_0*data->data_0
+  + coeffs->coeff_p1*data->data_p1
+  + coeffs->coeff_p2*data->data_p2
+  + coeffs->coeff_p3*data->data_p3;
diff --git a/src/common/1d.cube.size6/load-data.c b/src/common/1d.cube.size6/load-data.c
new file mode 100644
index 0000000..d271075
--- /dev/null
+++ b/src/common/1d.cube.size6/load-data.c
@@ -0,0 +1,6 @@
+data->data_m2 = DATA(-2);
+data->data_m1 = DATA(-1);
+data->data_0 = DATA(0);
+data->data_p1 = DATA(1);
+data->data_p2 = DATA(2);
+data->data_p3 = DATA(3);
diff --git a/src/common/1d.cube.size6/store-coeffs.c b/src/common/1d.cube.size6/store-coeffs.c
new file mode 100644
index 0000000..c1ccbeb
--- /dev/null
+++ b/src/common/1d.cube.size6/store-coeffs.c
@@ -0,0 +1,6 @@
+COEFF(-2) = factor * coeffs->coeff_m2;
+COEFF(-1) = factor * coeffs->coeff_m1;
+COEFF(0) = factor * coeffs->coeff_0;
+COEFF(1) = factor * coeffs->coeff_p1;
+COEFF(2) = factor * coeffs->coeff_p2;
+COEFF(3) = factor * coeffs->coeff_p3;
diff --git a/src/common/1d.cube.size7/coeffs-dcl.h b/src/common/1d.cube.size7/coeffs-dcl.h
new file mode 100644
index 0000000..08ea7e6
--- /dev/null
+++ b/src/common/1d.cube.size7/coeffs-dcl.h
@@ -0,0 +1,7 @@
+fp coeff_m3;
+fp coeff_m2;
+fp coeff_m1;
+fp coeff_0;
+fp coeff_p1;
+fp coeff_p2;
+fp coeff_p3;
diff --git a/src/common/1d.cube.size7/data-dcl.h b/src/common/1d.cube.size7/data-dcl.h
new file mode 100644
index 0000000..c75fafc
--- /dev/null
+++ b/src/common/1d.cube.size7/data-dcl.h
@@ -0,0 +1,7 @@
+fp data_m3;
+fp data_m2;
+fp data_m1;
+fp data_0;
+fp data_p1;
+fp data_p2;
+fp data_p3;
diff --git a/src/common/1d.cube.size7/evaluate-molecule.c b/src/common/1d.cube.size7/evaluate-molecule.c
new file mode 100644
index 0000000..ad83d90
--- /dev/null
+++ b/src/common/1d.cube.size7/evaluate-molecule.c
@@ -0,0 +1,7 @@
+    coeffs->coeff_m3*data->data_m3
+  + coeffs->coeff_m2*data->data_m2
+  + coeffs->coeff_m1*data->data_m1
+  + coeffs->coeff_0*data->data_0
+  + coeffs->coeff_p1*data->data_p1
+  + coeffs->coeff_p2*data->data_p2
+  + coeffs->coeff_p3*data->data_p3;
diff --git a/src/common/1d.cube.size7/load-data.c b/src/common/1d.cube.size7/load-data.c
new file mode 100644
index 0000000..43973ff
--- /dev/null
+++ b/src/common/1d.cube.size7/load-data.c
@@ -0,0 +1,7 @@
+data->data_m3 = DATA(-3);
+data->data_m2 = DATA(-2);
+data->data_m1 = DATA(-1);
+data->data_0 = DATA(0);
+data->data_p1 = DATA(1);
+data->data_p2 = DATA(2);
+data->data_p3 = DATA(3);
diff --git a/src/common/1d.cube.size7/store-coeffs.c b/src/common/1d.cube.size7/store-coeffs.c
new file mode 100644
index 0000000..93b597f
--- /dev/null
+++ b/src/common/1d.cube.size7/store-coeffs.c
@@ -0,0 +1,7 @@
+COEFF(-3) = factor * coeffs->coeff_m3;
+COEFF(-2) = factor * coeffs->coeff_m2;
+COEFF(-1) = factor * coeffs->coeff_m1;
+COEFF(0) = factor * coeffs->coeff_0;
+COEFF(1) = factor * coeffs->coeff_p1;
+COEFF(2) = factor * coeffs->coeff_p2;
+COEFF(3) = factor * coeffs->coeff_p3;
diff --git a/src/common/1d.log b/src/common/1d.log
new file mode 100644
index 0000000..0dda0e4
--- /dev/null
+++ b/src/common/1d.log
@@ -0,0 +1,1492 @@
+    |\^/|     Maple 7 (IBM INTEL LINUX)
+._|\|   |/|_. Copyright (c) 2001 by Waterloo Maple Inc.
+ \  MAPLE  /  All rights reserved. Maple is a registered trademark of
+ <____ ____>  Waterloo Maple Inc.
+      |       Type ? for help.
+# util.maple -- misc utility routines
+# $Header$
+> 
+#
+# fix_rationals - convert numbers to RATIONAL() calls
+# nonmatching_names - find names in a list which *don't* have a specified prefix
+# sprint_numeric_list - convert a numeric list to a valid C identifier suffix
+# print_name_list_dcl - print C declarations for a list of names
+#
+# hypercube_points - compute all (integer) points in an N-dimensional hypercube
+#
+# ftruncate - truncate a file to zero length
+#
+> 
+################################################################################
+################################################################################
+################################################################################
+> 
+#
+# This function converts all {integer, rational} subexpressions of its
+# input except integer exponents and -1 factors in products, into function
+# calls
+#	RATIONAL(num,den)
+# This is useful in conjunction with the  C() library function, since
+#
+#	C( (1/3) * foo * bar )
+#		t0 = foo*bar/3;
+#
+# generates a (slow) division (and runs the risk of mixed-mode-arithmetic
+# problems), while
+#
+#	C((1.0/3.0) * foo * bar);
+#	     t0 = 0.3333333333*foo*bar;
+#
+# suffers from roundoff error.  With this function,
+#
+#	fix_rationals((1/3) * foo * bar);
+#	     RATIONAL(1,3) foo bar
+#	C(%);
+#	     t0 = RATIONAL(1.0,3.0)*foo*bar;
+#
+# which a C preprocessor macro can easily convert to the desired
+#
+#	     t0 = (1.0/3.0)*foo*bar;
+#
+# Additionally, this function can be told to leave certain types of
+# subexpressions unconverged.  For example,
+#	fix_rationals(expr, type, specfunc(integer, DATA));
+# will leave all subexpressions of the form  DATA(integer arguments)
+# unconverted.
+#
+# Arguments:
+# expr = (in) The expression to be converted.
+# inert_fn = (optional in)
+#	     If specified, this argument should be a Boolean procedure
+#	     or the name of a Boolean procedure.  This procedure should
+#	     take one or more argument, and return true if and only if
+#	     the first argument should *not* be converted, i.e. if we
+#	     should leave this expression unchanged.  See the last
+#	     example above.
+# ... = (optional in)
+#	Any further arguments are passed as additional arguments to
+#	the inert_fn procedure.
+#
+> fix_rationals :=
+> proc(
+>     expr::{
+> 	        algebraic, name = algebraic,
+> 	  list({algebraic, name = algebraic}),
+> 	  set ({algebraic, name = algebraic})
+> 	  },
+>     inert_fn::{name, procedure}
+>     )
+> local nn, k,
+>       base, power, fbase, fpower,
+>       fn, fn_args_list,
+>       num, den, mult;
+> 
+# do we want to convert this expression?
+> if ((nargs >= 2) and inert_fn(expr, args[3..nargs]))
+>    then return expr;
+> end if;
+> 
+# recurse over lists and sets
+> if (type(expr, {list,set}))
+>    then return map(fix_rationals, expr, args[2..nargs]);
+> end if;
+> 
+# recurse over equation right hand sides
+> if (type(expr, name = algebraic))
+>    then return ( lhs(expr) = fix_rationals(rhs(expr), args[2..nargs]) );
+> end if;
+> 
+# recurse over functions other than  RATIONAL()
+> if (type(expr, function))
+>    then
+> 	fn := op(0, expr);
+> 	if (fn <> 'RATIONAL')
+> 	   then
+> 		fn_args_list := [op(expr)];
+> 		fn_args_list := map(fix_rationals, fn_args_list, args[2..nargs]);
+> 		fn; return '%'( op(fn_args_list) );
+> 	end if;
+> end if;
+> 
+> nn := nops(expr);
+> 
+# recurse over sums
+> if (type(expr, `+`))
+>    then return sum('fix_rationals(op(k,expr), args[2..nargs])', 'k'=1..nn);
+> end if;
+> 
+# recurse over products
+# ... leaving leading -1 factors intact, i.e. not converted to RATIONAL(-1,1)
+> if (type(expr, `*`))
+>    then
+> 	if (op(1, expr) = -1)
+> 	   then return -1*fix_rationals(remove(type, expr, 'identical(-1)'),
+> 				        args[2..nargs]);
+> 	   else return product('fix_rationals(op(k,expr), args[2..nargs])',
+> 			       'k'=1..nn);
+> 	end if;
+> end if;
+> 
+# recurse over powers
+# ... leaving integer exponents intact
+> if (type(expr, `^`))
+>    then
+> 	base := op(1, expr);
+> 	power := op(2, expr);
+> 
+> 	fbase := fix_rationals(base, args[2..nargs]);
+> 	if (type(power, integer))
+> 	   then fpower := power;
+> 	   else fpower := fix_rationals(power, args[2..nargs]);
+> 	end if;
+> 	return fbase ^ fpower;
+> end if;
+> 
+# fix integers and fractions
+> if (type(expr, integer))
+>    then return 'RATIONAL'(expr, 1);
+> end if;
+> if (type(expr, fraction))
+>    then
+> 	num := op(1, expr);
+> 	den := op(2, expr);
+> 
+> 	return 'RATIONAL'(num, den);
+> end if;
+> 
+# turn Maple floating-point into integer fraction, then recursively fix that
+> if (type(expr, float))
+>    then
+> 	mult := op(1, expr);
+> 	power := op(2, expr);
+> 	return fix_rationals(mult * 10^power, args[2..nargs]);
+> end if;
+> 
+# identity op on names
+> if (type(expr, name))
+>    then return expr;
+> end if;
+> 
+# unknown type
+> error "%0",
+>       "unknown type for expr!",
+>       "   whattype(expr) = ", whattype(expr),
+>       "   expr = ", expr;
+> end proc;
+fix_rationals := proc(expr::{algebraic, name = algebraic,
+list({algebraic, name = algebraic}), set({algebraic, name = algebraic})},
+inert_fn::{procedure, name})
+local nn, k, base, power, fbase, fpower, fn, fn_args_list, num, den, mult;
+    if 2 <= nargs and inert_fn(expr, args[3 .. nargs]) then return expr
+    end if;
+    if type(expr, {set, list}) then
+        return map(fix_rationals, expr, args[2 .. nargs])
+    end if;
+    if type(expr, name = algebraic) then
+        return lhs(expr) = fix_rationals(rhs(expr), args[2 .. nargs])
+    end if;
+    if type(expr, function) then
+        fn := op(0, expr);
+        if fn <> 'RATIONAL' then
+            fn_args_list := [op(expr)];
+            fn_args_list :=
+                map(fix_rationals, fn_args_list, args[2 .. nargs]);
+            fn;
+            return '%'(op(fn_args_list))
+        end if
+    end if;
+    nn := nops(expr);
+    if type(expr, `+`) then return
+        sum('fix_rationals(op(k, expr), args[2 .. nargs])', 'k' = 1 .. nn)
+    end if;
+    if type(expr, `*`) then
+        if op(1, expr) = -1 then return -fix_rationals(
+            remove(type, expr, 'identical(-1)'), args[2 .. nargs])
+        else return product('fix_rationals(op(k, expr), args[2 .. nargs])',
+            'k' = 1 .. nn)
+        end if
+    end if;
+    if type(expr, `^`) then
+        base := op(1, expr);
+        power := op(2, expr);
+        fbase := fix_rationals(base, args[2 .. nargs]);
+        if type(power, integer) then fpower := power
+        else fpower := fix_rationals(power, args[2 .. nargs])
+        end if;
+        return fbase^fpower
+    end if;
+    if type(expr, integer) then return 'RATIONAL'(expr, 1) end if;
+    if type(expr, fraction) then
+        num := op(1, expr); den := op(2, expr); return 'RATIONAL'(num, den)
+    end if;
+    if type(expr, float) then
+        mult := op(1, expr);
+        power := op(2, expr);
+        return fix_rationals(mult*10^power, args[2 .. nargs])
+    end if;
+    if type(expr, name) then return expr end if;
+    error "%0", "unknown type for expr!", "   whattype(expr) = ",
+        whattype(expr), "   expr = ", expr
+end proc
+
+> 
+################################################################################
+> 
+#
+# This function finds names in a list which *don't* have a specified prefix.
+#
+# Arguments:
+# name_list = A list of the names.
+# prefix = The prefix we want to filter out.
+#
+# Results:
+# This function returns the subset list of names which don't have the
+# specified prefix.
+# 
+> nonmatching_names :=
+> proc( name_list::list({name,string}), prefix::{name,string} )
+> 
+> select(   proc(n)
+> 	  evalb(not StringTools[IsPrefix](prefix,n));
+> 	  end proc
+> 	,
+> 	  name_list
+>       );
+> end proc;
+nonmatching_names := proc(
+name_list::list({name, string}), prefix::{name, string})
+    select(proc(n) evalb(not StringTools[IsPrefix](prefix, n)) end proc,
+    name_list)
+end proc
+
+> 
+################################################################################
+> 
+#
+# This function converts a numeric list to a string which is a valid
+# C identifier suffix: elements are separated by "_", decimal points are
+# replaced by "x", and all nonzero values have explicit +/- signs, which
+# are replaced by "p"/"m".
+#
+# For example, [0,-3.5,+4] --> "0_m3x5_p4".
+#
+> sprint_numeric_list :=
+> proc(nlist::list(numeric))
+> 
+# generate preliminary string, eg "+0_-3.5_+4"
+> map2(sprintf, "%+a", nlist);
+> ListTools[Join](%, "_");
+> cat(op(%));
+> 
+# fixup bad characters
+> StringTools[SubstituteAll](%, "+0", "0");
+> StringTools[CharacterMap](".+-", "xpm", %);
+> 
+> return %;
+> end proc;
+sprint_numeric_list := proc(nlist::list(numeric))
+    map2(sprintf, "%+a", nlist);
+    ListTools[Join](%, "_");
+    cat(op(%));
+    StringTools[SubstituteAll](%, "+0", "0");
+    StringTools[CharacterMap](".+-", "xpm", %);
+    return %
+end proc
+
+> 
+################################################################################
+> 
+#
+# This function prints a sequence of C declarations for a list of names.
+#
+# Argument:
+# name_list = A list of the names.
+# type_name = The C type of the names, eg. "double".
+# file_name = The file name to write the declaration to.  This is
+#	      truncated before writing.
+#
+> print_name_list_dcl :=
+> proc( name_list::list({name,string}),
+>       type_name::string,
+>       file_name::string )
+> local blanks, separator_string;
+> 
+> ftruncate(file_name);
+> 
+> map(
+>        proc(var::{name,string})
+>        fprintf(file_name,
+> 	       "%s %s;\n", 
+> 	       type_name, var);
+>        end proc
+>      ,
+>        name_list
+>    );
+> 
+> fclose(file_name);
+> NULL;
+> end proc;
+print_name_list_dcl := proc(
+name_list::list({name, string}), type_name::string, file_name::string)
+local blanks, separator_string;
+    ftruncate(file_name);
+    map(proc(var::{name, string})
+            fprintf(file_name, "%s %s;\n", type_name, var)
+        end proc, name_list);
+    fclose(file_name);
+    NULL
+end proc
+
+> 
+################################################################################
+################################################################################
+################################################################################
+> 
+#
+# This function computes a list of all the (integer) points in an
+# N-dimensional hypercube, in lexicographic order.  The present
+# implementation requires N <= 4.
+#
+# Arguments:
+# cmin,cmax = N-element lists of cube minimum/maximum coordinates.
+#
+# Results:
+# The function returns a set of d-element lists giving the coordinates.
+# For example,
+#	hypercube([0,0], [2,1]
+# returns
+#	{ [0,0], [0,1], [1,0], [1,1], [2,0], [2,1] }
+> hypercube_points :=
+> proc(cmin::list(integer), cmax::list(integer))
+> local N, i,j,k,l;
+> 
+> N := nops(cmin);
+> if (nops(cmax) <> N)
+>    then error 
+> 	"must have same number of dimensions for min and max coordinates!";
+> fi;
+> 
+> if   (N = 1)
+>    then return [seq([i], i=cmin[1]..cmax[1])];
+> elif (N = 2)
+>    then return [
+> 		 seq(
+> 		   seq([i,j], j=cmin[2]..cmax[2]),
+> 		   i=cmin[1]..cmax[1])
+> 	       ];
+> elif (N = 3)
+>    then return [
+> 		 seq(
+> 		   seq(
+> 		     seq([i,j,k], k=cmin[3]..cmax[3]),
+> 		     j=cmin[2]..cmax[2] ),
+> 		   i=cmin[1]..cmax[1])
+> 	       ];
+> elif (N = 4)
+>    then return [
+> 		 seq(
+> 		   seq(
+> 		     seq(
+> 		       seq([i,j,k,l], l=cmin[4]..cmax[4]),
+> 		       k=cmin[3]..cmax[3] ),
+> 		     j=cmin[2]..cmax[2]),
+> 		   i=cmin[1]..cmax[1])
+> 	       ];
+> else
+> 	error "implementation restriction: must have N <= 4, got %1!", N;
+> fi;
+> end proc;
+hypercube_points := proc(cmin::list(integer), cmax::list(integer))
+local N, i, j, k, l;
+    N := nops(cmin);
+    if nops(cmax) <> N then error
+        "must have same number of dimensions for min and max coordinates!"
+    end if;
+    if N = 1 then return [seq([i], i = cmin[1] .. cmax[1])]
+    elif N = 2 then return
+        [seq(seq([i, j], j = cmin[2] .. cmax[2]), i = cmin[1] .. cmax[1])]
+    elif N = 3 then return [seq(
+        seq(seq([i, j, k], k = cmin[3] .. cmax[3]), j = cmin[2] .. cmax[2])
+        , i = cmin[1] .. cmax[1])]
+    elif N = 4 then return [seq(seq(seq(
+        seq([i, j, k, l], l = cmin[4] .. cmax[4]), k = cmin[3] .. cmax[3]),
+        j = cmin[2] .. cmax[2]), i = cmin[1] .. cmax[1])]
+    else error "implementation restriction: must have N <= 4, got %1!", N
+    end if
+end proc
+
+> 
+################################################################################
+################################################################################
+################################################################################
+> 
+#
+# This function truncates a file to 0 length if it exists, or creates
+# it at that length if it doesn't exist.
+#
+# Arguments:
+# file_name = (in) The name of the file.
+#
+> ftruncate :=
+> proc(file_name::string)
+> fopen(file_name, 'WRITE');
+> fclose(%);
+> NULL;
+> end proc;
+ftruncate :=
+
+    proc(file_name::string) fopen(file_name, 'WRITE'); fclose(%); NULL end proc
+
+# interpolate.maple -- compute interpolation formulas/coefficients
+# $Header$
+> 
+#
+# <<<representation of numbers, data values, etc>>>
+# Lagrange_polynomial_interpolant - compute Lagrange polynomial interpolant
+# Hermite_polynomial_interpolant - compute Hermite polynomial interpolant
+# coeff_as_lc_of_data - coefficients of ... (linear combination of data)
+#
+# print_coeff__lc_of_data - print C code to compute coefficients
+# print_fetch_data - print C code to fetch input array chunk into struct data
+# print_store_coeffs - print C code to store struct coeffs "somewhere"
+# print_interp_cmpt__lc_of_data - print C code for computation of interpolant
+#
+# coeff_name - name of coefficient of data at a given [m] coordinate
+# data_var_name - name of variable storing data value at a given [m] coordinate
+#
+> 
+################################################################################
+> 
+#
+# ***** representation of numbers, data values, etc *****
+#
+# We use RATIONAL(p.0,q.0) to denote the rational number p/q.
+#
+# We use DATA(...) to represent the data values being interpolated at a
+# specified [m] coordinate, where the arguments are the [m] coordinates.
+#
+# We use COEFF(...) to represent the molecule coefficient at a specified
+# [m] coordinate, where the arguments are the [m] coordinates.
+#
+# For example, the usual 1-D centered 2nd order 1st derivative molecule
+# would be written
+#	RATIONAL(-1.0,2.0)*DATA(-1) + RATIONA(1.0,2.0)*DATA(1)
+# and its coefficients as
+#	COEFF(-1) = RATIONAL(-1.0,2.0)
+#	COEFF(1) = RATIONAL(1.0,2.0)
+#
+> 
+################################################################################
+################################################################################
+################################################################################
+> 
+#
+# This function computes a Lagrange polynomial interpolant in any
+# number of dimensions.
+#
+# Arguments:
+# fn = The interpolation function.  This should be a procedure in the
+#      coordinates, having the coefficients as global variables.  For
+#      example,
+#	  proc(x,y) c00 + c10*x + c01*y end proc
+# coeff_list = A set of the interpolation coefficients (coefficients in
+#	       the interpolation function), for example [c00, c10, c01].
+# coord_list = A list of the coordinates (independent variables in the
+#	       interpolation function), for example [x,y].
+# posn_list = A list of positions (each a list of numeric values) where the
+#	      interpolant is to use data, for example  hypercube([0,0], [1,1]).
+#	      Any positions may be used; if they're redundant (as in the
+#	      example) the least-squares interpolant is computed.
+#
+# Results:
+# This function returns the interpolating polynomial, in the form of
+# an algebraic expression in the coordinates and the data values.
+#
+> Lagrange_polynomial_interpolant :=
+> proc(
+>       fn::procedure, coeff_list::list(name),
+>       coord_list::list(name), posn_list::list(list(numeric))
+>     )
+> local posn, data_eqns, coeff_eqns;
+> 
+# coefficients of interpolating polynomial
+> data_eqns := {  seq( fn(op(posn))='DATA'(op(posn)) , posn=posn_list )  };
+> coeff_eqns := linalg[leastsqrs](data_eqns, {op(coeff_list)});
+> if (has(coeff_eqns, '_t'))
+>    then error "interpolation coefficients aren't uniquely determined!";
+> end if;
+> 
+# interpolant as a polynomial in the coordinates
+> return subs(coeff_eqns, eval(fn))(op(coord_list));
+> end proc;
+Lagrange_polynomial_interpolant := proc(fn::procedure, coeff_list::list(name),
+coord_list::list(name), posn_list::list(list(numeric)))
+local posn, data_eqns, coeff_eqns;
+    data_eqns := {seq(fn(op(posn)) = 'DATA'(op(posn)), posn = posn_list)};
+    coeff_eqns := linalg[leastsqrs](data_eqns, {op(coeff_list)});
+    if has(coeff_eqns, '_t') then
+        error "interpolation coefficients aren't uniquely determined!"
+    end if;
+    return subs(coeff_eqns, eval(fn))(op(coord_list))
+end proc
+
+> 
+################################################################################
+> 
+#
+# This function computes a Hermite polynomial interpolant in any
+# number of dimensions.  This is a polynomial which
+# * has values which match the given data DATA() at a specified set of
+#   points, and
+# * has derivatives which match the specified finite-difference derivatives
+#   of the given data DATA() at a specified set of points
+#
+# For the derivative matching, we actually match all possible products
+# of 1st derivatives, i.e. in 2-D we match dx, dy, and dxy, in 3-D we
+# match dx, dy, dz, dxy, dxz, dyz, and dxyz, etc etc.
+#
+# Arguments:
+# fn = The interpolation function.  This should be a procedure in the
+#      coordinates, having the coefficients as global variables.  For
+#      example,
+#		proc(x,y)
+#		+ c03*y^3 + c13*x*y^3 + c23*x^2*y^3 + c33*x^3*y^3
+#		+ c02*y^2 + c12*x*y^2 + c22*x^2*y^2 + c32*x^3*y^2
+#		+ c01*y   + c11*x*y   + c21*x^2*y   + c31*x^3*y
+#		+ c00     + c10*x     + c20*x^2     + c30*x^3
+#		end proc;
+# coeff_set = A set of the interpolation coefficients (coefficients in
+#	       the interpolation function), for example
+#			{
+#			c03, c13, c23, c33,
+#			c02, c12, c22, c32,
+#			c01, c11, c21, c31,
+#			c00, c10, c20, c30
+#			}
+# coord_list = A list of the coordinates (independent variables in the
+#	       interpolation function), for example [x,y].
+# deriv_set = A set of equations of the form
+#		{coords} = proc
+#	      giving the derivatives which are to be matched, and the
+#	      procedures to compute their finite-difference approximations.
+#	      Each procedure should take N_dims integer arguments specifying
+#	      an evaluation point, and return a suitable linear combination
+#	      of the DATA() for the derivative at that point.  For example
+#			{
+#			  {x}   = proc(i::integer, j::integer)
+#				  - 1/2*DATA(i-1,j) + 1/2*DATA(i+1,j)
+#				  end proc
+#			,
+#			  {y}   = proc(i::integer, j::integer)
+#				  - 1/2*DATA(i,j-1) + 1/2*DATA(i,j+1)
+#				  end proc
+#			,
+#			  {x,y} = proc(i::integer, j::integer)
+#				  - 1/4*DATA(i-1,j+1) + 1/4*DATA(i+1,j+1)
+#				  + 1/4*DATA(i-1,j-1) - 1/4*DATA(i+1,j-1)
+#				  end proc
+#			}
+# fn_posn_set = A set of positions (each a list of numeric values)
+#		where the interpolant is to match the given data DATA(),
+#		for example
+#			{[0,0], [0,1], [1,0], [1,1]}
+# deriv_posn_set = A list of positions (each a list of numeric values)
+#		   where the interpolant is to match the derivatives
+#		   specified by  deriv_set , for example
+#			{[0,0], [0,1], [1,0], [1,1]}
+#
+# Results:
+# This function returns the interpolating polynomial, in the form of
+# an algebraic expression in the coordinates and the data values.
+#
+> Hermite_polynomial_interpolant :=
+> proc(
+>       fn::procedure,
+>       coeff_set::set(name),
+>       coord_list::list(name),
+>       deriv_set::set(set(name) = procedure),
+>       fn_posn_set::set(list(numeric)),
+>       deriv_posn_set::set(list(numeric))
+>     )
+> local fn_eqnset, deriv_eqnset, coeff_eqns, subs_eqnset;
+> 
+> 
+#
+# compute a set of equations
+#	{fn(posn) = DATA(posn)}
+# giving the function values to be matched
+#
+> fn_eqnset := map(
+> 		    # return equation that fn(posn) = DATA(posn)
+> 		    proc(posn::list(integer))
+> 		    fn(op(posn)) = 'DATA'(op(posn));
+> 		    end proc
+> 		  ,
+> 		    fn_posn_set
+> 		);
+> 
+> 
+#
+# compute a set of equations
+#	{ diff(fn,coords)(posn) = DERIV(coords)(posn) }
+# giving the derivative values to be matched, where DERIV(coords)
+# is a placeholder for the appropriate derivative
+#
+> map(
+>        # return set of equations for this particular derivative
+>        proc(deriv_coords::set(name))
+>        local deriv_fn;
+>        fn(op(coord_list));
+>        diff(%, op(deriv_coords));
+>        deriv_fn := unapply(%, op(coord_list));
+>        map(
+> 	      proc(posn::list(integer))
+> 	      deriv_fn(op(posn)) = 'DERIV'(op(deriv_coords))(op(posn));
+> 	      end proc
+> 	    ,
+> 	      deriv_posn_set
+> 	  );
+>        end proc
+>      ,
+>        map(lhs, deriv_set)
+>    );
+> deriv_eqnset := `union`(op(%));
+> 
+> 
+#
+# solve overall set of equations for coefficients
+# in terms of DATA() and DERIV() values
+#
+> coeff_eqns := solve[linear](fn_eqnset union deriv_eqnset, coeff_set);
+> if (indets(map(rhs,%)) <> {})
+>    then error "no unique solution for coefficients -- %1 eqns for %2 coeffs",
+> 	      nops(fn_eqnset union deriv_eqnset),
+> 	      nops(coeff_set);
+> fi;
+> 
+> 
+#
+# compute a set of substitution equations
+#	{'DERIV'(coords) = procedure}
+#
+> subs_eqnset := map(
+> 		      proc(eqn::set(name) = procedure)
+> 		      'DERIV'(op(lhs(eqn))) = rhs(eqn);
+> 		      end proc
+> 		    ,
+> 		      deriv_set
+> 		  );
+> 
+> 
+#
+# compute the coefficients in terms of the DATA() values
+#
+> subs(subs_eqnset, coeff_eqns);
+> eval(%);
+> 
+#
+# compute the interpolant as a polynomial in the coordinates
+#
+> subs(%, fn(op(coord_list)));
+> end proc;
+Hermite_polynomial_interpolant := proc(fn::procedure, coeff_set::set(name),
+coord_list::list(name), deriv_set::set(set(name) = procedure),
+fn_posn_set::set(list(numeric)), deriv_posn_set::set(list(numeric)))
+local fn_eqnset, deriv_eqnset, coeff_eqns, subs_eqnset;
+    fn_eqnset := map(
+        proc(posn::list(integer)) fn(op(posn)) = 'DATA'(op(posn)) end proc,
+        fn_posn_set);
+    map(proc(deriv_coords::set(name))
+        local deriv_fn;
+            fn(op(coord_list));
+            diff(%, op(deriv_coords));
+            deriv_fn := unapply(%, op(coord_list));
+            map(proc(posn::list(integer))
+                    deriv_fn(op(posn)) =
+                    'DERIV'(op(deriv_coords))(op(posn))
+                end proc, deriv_posn_set)
+        end proc, map(lhs, deriv_set));
+    deriv_eqnset := `union`(op(%));
+    coeff_eqns := solve[linear](fn_eqnset union deriv_eqnset, coeff_set);
+    if indets(map(rhs, %)) <> {} then error
+        "no unique solution for coefficients -- %1 eqns for %2 coeffs",
+        nops(fn_eqnset union deriv_eqnset), nops(coeff_set)
+    end if;
+    subs_eqnset := map(proc(eqn::(set(name) = procedure))
+            'DERIV'(op(lhs(eqn))) = rhs(eqn)
+        end proc, deriv_set);
+    subs(subs_eqnset, coeff_eqns);
+    eval(%);
+    subs(%, fn(op(coord_list)))
+end proc
+
+> 
+################################################################################
+> 
+#
+# This function takes as input an interpolating polynomial, expresses
+# it as a linear combination of the data values, and returns the coefficeints
+# of that form.
+# 
+# Arguments:
+# interpolant = The interpolating polynomial (an algebraic expression
+#		in the coordinates and the data values).
+# posn_list = The same list of data positions used in the interpolant.
+#
+# Results:
+# This function returns the coefficients, as a list of equations of the
+# form   COEFF(...) = value , where each  value  is a polynomial in the
+# coordinates.  The order of the list matches that of  posn_list.
+#
+> coeff_as_lc_of_data :=
+> proc(
+>       interpolant::algebraic,
+>       posn_list::list(list(numeric))
+>     )
+> local data_list, interpolant_as_lc_of_data;
+> 
+# interpolant as a linear combination of the data values
+> data_list := [ seq( 'DATA'(op(posn)) , posn=posn_list ) ];
+> interpolant_as_lc_of_data := collect(interpolant, data_list);
+> 
+# coefficients of the data values in the linear combination
+> return map(
+> 	      proc(posn::list(numeric))
+> 	      coeff(interpolant_as_lc_of_data, DATA(op(posn)));
+> 	      'COEFF'(op(posn)) = %;
+> 	      end proc
+> 	    ,
+> 	      posn_list
+> 	  );
+> end proc;
+coeff_as_lc_of_data := proc(
+interpolant::algebraic, posn_list::list(list(numeric)))
+local data_list, interpolant_as_lc_of_data;
+    data_list := [seq('DATA'(op(posn)), posn = posn_list)];
+    interpolant_as_lc_of_data := collect(interpolant, data_list);
+    return map(proc(posn::list(numeric))
+            coeff(interpolant_as_lc_of_data, DATA(op(posn)));
+            'COEFF'(op(posn)) = %
+        end proc, posn_list)
+end proc
+
+> 
+################################################################################
+################################################################################
+################################################################################
+> 
+#
+# This function prints C expressions for the coefficients of an
+# interpolating polynomial.  (The polynomial is expressed as linear
+# combinations of the data values with coefficients which are
+# RATIONAL(p,q) calls.)
+#
+# Arguments:
+# coeff_list = A list of the coefficients, as returned from
+#	       coeff_as_lc_of_data() .
+# coeff_name_prefix = A prefix string for the coefficient names.
+# temp_name_type = The C type to be used for Maple-introduced temporary
+#		   names, eg. "double".
+# file_name = The file name to write the coefficients to.  This is
+#	      truncated before writing.
+#
+> print_coeff__lc_of_data :=
+> proc( coeff_list::list(specfunc(numeric,COEFF) = algebraic),
+>       coeff_name_prefix::string,
+>       temp_name_type::string,
+>       file_name::string )
+> global `codegen/C/function/informed`;
+> local coeff_list2, cmpt_list, temp_name_list;
+> 
+# convert LHS of each equation from a COEFF() call (eg COEFF(-1,+1))
+# to a Maple/C variable name (eg coeff_I_m1_p1)
+> coeff_list2 := map(
+> 		      proc(coeff_eqn::specfunc(numeric,COEFF) = algebraic)
+> 		      local posn;
+> 		      posn := [op(lhs(coeff_eqn))];
+> 		      coeff_name(posn,coeff_name_prefix);
+> 		      convert(%, name);	# codegen[C] wants LHS
+> 					# to be an actual Maple *name*
+> 		      % = fix_rationals(rhs(coeff_eqn));
+> 		      end proc
+> 		    ,
+> 		      coeff_list
+> 		  );
+> 
+#
+# generate the C code
+#
+> 
+# tell codegen[C] not to warn about unknown RATIONAL() and DATA() "fn calls"
+# via undocumented :( global table
+> `codegen/C/function/informed`['RATIONAL'] := true;
+> `codegen/C/function/informed`['DATA'] := true;
+> 
+> ftruncate(file_name);
+> 
+# optimized computation sequence for all the coefficients
+# (may use local variables t0,t1,t2,...)
+> cmpt_list := [codegen[optimize](coeff_list2, tryhard)];
+> 
+# list of the t0,t1,t2,... local variables
+> temp_name_list := nonmatching_names(map(lhs,cmpt_list), coeff_name_prefix);
+> 
+# declare the t0,t1,t2,... local variables (if there are any)
+> if (nops(temp_name_list) > 0)
+>    then print_name_list_dcl(%, temp_name_type, file_name);
+> fi;
+> 
+# now print the optimized computation sequence
+> codegen[C](cmpt_list, filename=file_name);
+> 
+> fclose(file_name);
+> 
+> NULL;
+> end proc;
+print_coeff__lc_of_data := proc(
+coeff_list::list(specfunc(numeric, COEFF) = algebraic),
+coeff_name_prefix::string, temp_name_type::string, file_name::string)
+local coeff_list2, cmpt_list, temp_name_list;
+global `codegen/C/function/informed`;
+    coeff_list2 := map(proc(
+        coeff_eqn::(specfunc(numeric, COEFF) = algebraic))
+        local posn;
+            posn := [op(lhs(coeff_eqn))];
+            coeff_name(posn, coeff_name_prefix);
+            convert(%, name);
+            % = fix_rationals(rhs(coeff_eqn))
+        end proc, coeff_list);
+    `codegen/C/function/informed`['RATIONAL'] := true;
+    `codegen/C/function/informed`['DATA'] := true;
+    ftruncate(file_name);
+    cmpt_list := [codegen[optimize](coeff_list2, tryhard)];
+    temp_name_list :=
+        nonmatching_names(map(lhs, cmpt_list), coeff_name_prefix);
+    if 0 < nops(temp_name_list) then
+        print_name_list_dcl(%, temp_name_type, file_name)
+    end if;
+    codegen[C](cmpt_list, filename = file_name);
+    fclose(file_name);
+    NULL
+end proc
+
+> 
+################################################################################
+> 
+#
+# This function prints a sequence of C expression to assign the data-value
+# variables, eg
+#	data->data_m1_p1 = DATA(-1,1);
+#
+# Arguments:
+# posn_list = The same list of positions as was used to compute the
+#	      interpolating polynomial.
+# data_var_name_prefix = A prefix string for the data variable names.
+# file_name = The file name to write the coefficients to.  This is
+#	      truncated before writing.
+#
+> print_fetch_data :=
+> proc(
+>       posn_list::list(list(numeric)),
+>       data_var_name_prefix::string,
+>       file_name::string
+>     )
+> 
+> ftruncate(file_name);
+> map(
+>        proc(posn::list(numeric))
+>        fprintf(file_name,
+> 	       "%s = %a;\n",
+> 	       data_var_name(posn,data_var_name_prefix),
+> 	       DATA(op(posn)));
+>        end proc
+>      ,
+>        posn_list
+>    );
+> fclose(file_name);
+> 
+> NULL;
+> end proc;
+print_fetch_data := proc(posn_list::list(list(numeric)),
+data_var_name_prefix::string, file_name::string)
+    ftruncate(file_name);
+    map(proc(posn::list(numeric))
+            fprintf(file_name, "%s = %a;\n",
+            data_var_name(posn, data_var_name_prefix), DATA(op(posn)))
+        end proc, posn_list);
+    fclose(file_name);
+    NULL
+end proc
+
+> 
+################################################################################
+> 
+#
+# This function prints a sequence of C expression to store the interpolation
+# coefficients in  COEFF(...)  expressions, eg
+#	COEFF(1,-1) = factor * coeffs->coeff_p1_m1;
+#
+# Arguments:
+# posn_list = The list of positions in the molecule.
+# coeff_name_prefix = A prefix string for the coefficient names,
+#		      eg "factor * coeffs->coeff_"
+# file_name = The file name to write the coefficients to.  This is
+#	      truncated before writing.
+#
+> print_store_coeffs :=
+> proc(
+>       posn_list::list(list(numeric)),
+>       coeff_name_prefix::string,
+>       file_name::string
+>     )
+> 
+> ftruncate(file_name);
+> map(
+>        proc(posn::list(numeric))
+>        fprintf(file_name,
+> 	       "%a = %s;\n",
+> 	       'COEFF'(op(posn)),
+> 	       coeff_name(posn,coeff_name_prefix));
+>        end proc
+>      ,
+>        posn_list
+>    );
+> fclose(file_name);
+> 
+> NULL;
+> end proc;
+print_store_coeffs := proc(posn_list::list(list(numeric)),
+coeff_name_prefix::string, file_name::string)
+    ftruncate(file_name);
+    map(proc(posn::list(numeric))
+            fprintf(file_name, "%a = %s;\n", 'COEFF'(op(posn)),
+            coeff_name(posn, coeff_name_prefix))
+        end proc, posn_list);
+    fclose(file_name);
+    NULL
+end proc
+
+> 
+################################################################################
+> 
+#
+# This function prints a C expression to evaluate a molecule, i.e.
+# to compute the molecule as a linear combination of the data values.
+#
+# Arguments:
+# posn_list = The list of positions in the molecule.
+# coeff_name_prefix = A prefix string for the coefficient names.
+# data_var_name_prefix = A prefix string for the data variable names.
+# file_name = The file name to write the coefficients to.  This is
+#	      truncated before writing.
+#
+> print_evaluate_molecule :=
+> proc(
+>       posn_list::list(list(numeric)),
+>       coeff_name_prefix::string,
+>       data_var_name_prefix::string,
+>       file_name::string
+>     )
+> 
+> ftruncate(file_name);
+> 
+# list of "coeff*data_var" terms
+> map(
+>        proc(posn::list(numeric))
+>        sprintf("%s*%s",
+> 	       coeff_name(posn,coeff_name_prefix),
+> 	       data_var_name(posn,data_var_name_prefix));
+>        end proc
+>      ,
+>        posn_list
+>    );
+> 
+> ListTools[Join](%, "\n  + ");
+> cat(op(%));
+> fprintf(file_name, "    %s;\n", %);
+> 
+> fclose(file_name);
+> 
+> NULL;
+> end proc;
+print_evaluate_molecule := proc(posn_list::list(list(numeric)),
+coeff_name_prefix::string, data_var_name_prefix::string, file_name::string)
+    ftruncate(file_name);
+    map(proc(posn::list(numeric))
+            sprintf("%s*%s", coeff_name(posn, coeff_name_prefix),
+            data_var_name(posn, data_var_name_prefix))
+        end proc, posn_list);
+    ListTools[Join](%, "\n  + ");
+    cat(op(%));
+    fprintf(file_name, "    %s;\n", %);
+    fclose(file_name);
+    NULL
+end proc
+
+> 
+################################################################################
+################################################################################
+################################################################################
+> 
+#
+# This function computes the name of the coefficient of the data at a
+# given [m] position, i.e. it encapsulates our naming convention for this.
+#
+# Arguments:
+# posn = (in) The [m] coordinates.
+# name_prefix = A prefix string for the coefficient name.
+#
+# Results:
+# The function returns the coefficient, as a Maple string.
+#
+> coeff_name :=
+> proc(posn::list(numeric), name_prefix::string)
+> cat(name_prefix, sprint_numeric_list(posn));
+> end proc;
+coeff_name := proc(posn::list(numeric), name_prefix::string)
+    cat(name_prefix, sprint_numeric_list(posn))
+end proc
+
+> 
+################################################################################
+> 
+#
+# This function computes the name of the variable in which the C code
+# will store the input data at a given [m] position, i.e. it encapsulates
+# our naming convention for this.
+#
+# Arguments:
+# posn = (in) The [m] coordinates.
+# name_prefix = A prefix string for the variable name.
+#
+# Results:
+# The function returns the variable name, as a Maple string.
+#
+> data_var_name :=
+> proc(posn::list(numeric), name_prefix::string)
+> cat(name_prefix, sprint_numeric_list(posn));
+> end proc;
+data_var_name := proc(posn::list(numeric), name_prefix::string)
+    cat(name_prefix, sprint_numeric_list(posn))
+end proc
+
+# Maple code to compute lists of point positions in hypercube-shaped molecules
+# $Header$
+> 
+################################################################################
+> 
+#
+# 1D interpolation points
+#
+> posn_list_1d_size2 := hypercube_points([ 0], [+1]);
+                        posn_list_1d_size2 := [[0], [1]]
+
+> posn_list_1d_size3 := hypercube_points([-1], [+1]);
+                     posn_list_1d_size3 := [[-1], [0], [1]]
+
+> posn_list_1d_size4 := hypercube_points([-1], [+2]);
+                  posn_list_1d_size4 := [[-1], [0], [1], [2]]
+
+> posn_list_1d_size5 := hypercube_points([-2], [+2]);
+               posn_list_1d_size5 := [[-2], [-1], [0], [1], [2]]
+
+> posn_list_1d_size6 := hypercube_points([-2], [+3]);
+             posn_list_1d_size6 := [[-2], [-1], [0], [1], [2], [3]]
+
+> posn_list_1d_size7 := hypercube_points([-3], [+3]);
+          posn_list_1d_size7 := [[-3], [-2], [-1], [0], [1], [2], [3]]
+
+> 
+################################################################################
+> 
+#
+# 2D interpolation points (Fortran ordering)
+#
+> posn_list_2d_size2 := map(ListTools[Reverse],
+> 			  hypercube_points([ 0, 0], [+1,+1]));
+             posn_list_2d_size2 := [[0, 0], [1, 0], [0, 1], [1, 1]]
+
+> posn_list_2d_size3 := map(ListTools[Reverse],
+> 			  hypercube_points([-1,-1], [+1,+1]));
+posn_list_2d_size3 := [[-1, -1], [0, -1], [1, -1], [-1, 0], [0, 0], [1, 0],
+
+    [-1, 1], [0, 1], [1, 1]]
+
+> posn_list_2d_size4 := map(ListTools[Reverse],
+> 			  hypercube_points([-1,-1], [+2,+2]));
+posn_list_2d_size4 := [[-1, -1], [0, -1], [1, -1], [2, -1], [-1, 0], [0, 0],
+
+    [1, 0], [2, 0], [-1, 1], [0, 1], [1, 1], [2, 1], [-1, 2], [0, 2], [1, 2],
+
+    [2, 2]]
+
+> posn_list_2d_size5 := map(ListTools[Reverse],
+> 			  hypercube_points([-2,-2], [+2,+2]));
+posn_list_2d_size5 := [[-2, -2], [-1, -2], [0, -2], [1, -2], [2, -2], [-2, -1],
+
+    [-1, -1], [0, -1], [1, -1], [2, -1], [-2, 0], [-1, 0], [0, 0], [1, 0],
+
+    [2, 0], [-2, 1], [-1, 1], [0, 1], [1, 1], [2, 1], [-2, 2], [-1, 2], [0, 2],
+
+    [1, 2], [2, 2]]
+
+> posn_list_2d_size6 := map(ListTools[Reverse],
+> 			  hypercube_points([-2,-2], [+3,+3]));
+posn_list_2d_size6 := [[-2, -2], [-1, -2], [0, -2], [1, -2], [2, -2], [3, -2],
+
+    [-2, -1], [-1, -1], [0, -1], [1, -1], [2, -1], [3, -1], [-2, 0], [-1, 0],
+
+    [0, 0], [1, 0], [2, 0], [3, 0], [-2, 1], [-1, 1], [0, 1], [1, 1], [2, 1],
+
+    [3, 1], [-2, 2], [-1, 2], [0, 2], [1, 2], [2, 2], [3, 2], [-2, 3], [-1, 3],
+
+    [0, 3], [1, 3], [2, 3], [3, 3]]
+
+> 
+################################################################################
+> 
+#
+# 3D interpolation points (Fortran ordering)
+#
+> posn_list_3d_size2 := map(ListTools[Reverse],
+> 			  hypercube_points([ 0, 0, 0], [+1,+1,+1]));
+posn_list_3d_size2 := [[0, 0, 0], [1, 0, 0], [0, 1, 0], [1, 1, 0], [0, 0, 1],
+
+    [1, 0, 1], [0, 1, 1], [1, 1, 1]]
+
+> posn_list_3d_size3 := map(ListTools[Reverse],
+> 			  hypercube_points([-1,-1,-1], [+1,+1,+1]));
+posn_list_3d_size3 := [[-1, -1, -1], [0, -1, -1], [1, -1, -1], [-1, 0, -1],
+
+    [0, 0, -1], [1, 0, -1], [-1, 1, -1], [0, 1, -1], [1, 1, -1], [-1, -1, 0],
+
+    [0, -1, 0], [1, -1, 0], [-1, 0, 0], [0, 0, 0], [1, 0, 0], [-1, 1, 0],
+
+    [0, 1, 0], [1, 1, 0], [-1, -1, 1], [0, -1, 1], [1, -1, 1], [-1, 0, 1],
+
+    [0, 0, 1], [1, 0, 1], [-1, 1, 1], [0, 1, 1], [1, 1, 1]]
+
+> posn_list_3d_size4 := map(ListTools[Reverse],
+> 			  hypercube_points([-1,-1,-1], [+2,+2,+2]));
+posn_list_3d_size4 := [[-1, -1, -1], [0, -1, -1], [1, -1, -1], [2, -1, -1],
+
+    [-1, 0, -1], [0, 0, -1], [1, 0, -1], [2, 0, -1], [-1, 1, -1], [0, 1, -1],
+
+    [1, 1, -1], [2, 1, -1], [-1, 2, -1], [0, 2, -1], [1, 2, -1], [2, 2, -1],
+
+    [-1, -1, 0], [0, -1, 0], [1, -1, 0], [2, -1, 0], [-1, 0, 0], [0, 0, 0],
+
+    [1, 0, 0], [2, 0, 0], [-1, 1, 0], [0, 1, 0], [1, 1, 0], [2, 1, 0],
+
+    [-1, 2, 0], [0, 2, 0], [1, 2, 0], [2, 2, 0], [-1, -1, 1], [0, -1, 1],
+
+    [1, -1, 1], [2, -1, 1], [-1, 0, 1], [0, 0, 1], [1, 0, 1], [2, 0, 1],
+
+    [-1, 1, 1], [0, 1, 1], [1, 1, 1], [2, 1, 1], [-1, 2, 1], [0, 2, 1],
+
+    [1, 2, 1], [2, 2, 1], [-1, -1, 2], [0, -1, 2], [1, -1, 2], [2, -1, 2],
+
+    [-1, 0, 2], [0, 0, 2], [1, 0, 2], [2, 0, 2], [-1, 1, 2], [0, 1, 2],
+
+    [1, 1, 2], [2, 1, 2], [-1, 2, 2], [0, 2, 2], [1, 2, 2], [2, 2, 2]]
+
+> posn_list_3d_size5 := map(ListTools[Reverse],
+> 			  hypercube_points([-2,-2,-2], [+2,+2,+2]));
+posn_list_3d_size5 := [[-2, -2, -2], [-1, -2, -2], [0, -2, -2], [1, -2, -2],
+
+    [2, -2, -2], [-2, -1, -2], [-1, -1, -2], [0, -1, -2], [1, -1, -2],
+
+    [2, -1, -2], [-2, 0, -2], [-1, 0, -2], [0, 0, -2], [1, 0, -2], [2, 0, -2],
+
+    [-2, 1, -2], [-1, 1, -2], [0, 1, -2], [1, 1, -2], [2, 1, -2], [-2, 2, -2],
+
+    [-1, 2, -2], [0, 2, -2], [1, 2, -2], [2, 2, -2], [-2, -2, -1], [-1, -2, -1],
+
+    [0, -2, -1], [1, -2, -1], [2, -2, -1], [-2, -1, -1], [-1, -1, -1],
+
+    [0, -1, -1], [1, -1, -1], [2, -1, -1], [-2, 0, -1], [-1, 0, -1], [0, 0, -1],
+
+    [1, 0, -1], [2, 0, -1], [-2, 1, -1], [-1, 1, -1], [0, 1, -1], [1, 1, -1],
+
+    [2, 1, -1], [-2, 2, -1], [-1, 2, -1], [0, 2, -1], [1, 2, -1], [2, 2, -1],
+
+    [-2, -2, 0], [-1, -2, 0], [0, -2, 0], [1, -2, 0], [2, -2, 0], [-2, -1, 0],
+
+    [-1, -1, 0], [0, -1, 0], [1, -1, 0], [2, -1, 0], [-2, 0, 0], [-1, 0, 0],
+
+    [0, 0, 0], [1, 0, 0], [2, 0, 0], [-2, 1, 0], [-1, 1, 0], [0, 1, 0],
+
+    [1, 1, 0], [2, 1, 0], [-2, 2, 0], [-1, 2, 0], [0, 2, 0], [1, 2, 0],
+
+    [2, 2, 0], [-2, -2, 1], [-1, -2, 1], [0, -2, 1], [1, -2, 1], [2, -2, 1],
+
+    [-2, -1, 1], [-1, -1, 1], [0, -1, 1], [1, -1, 1], [2, -1, 1], [-2, 0, 1],
+
+    [-1, 0, 1], [0, 0, 1], [1, 0, 1], [2, 0, 1], [-2, 1, 1], [-1, 1, 1],
+
+    [0, 1, 1], [1, 1, 1], [2, 1, 1], [-2, 2, 1], [-1, 2, 1], [0, 2, 1],
+
+    [1, 2, 1], [2, 2, 1], [-2, -2, 2], [-1, -2, 2], [0, -2, 2], [1, -2, 2],
+
+    [2, -2, 2], [-2, -1, 2], [-1, -1, 2], [0, -1, 2], [1, -1, 2], [2, -1, 2],
+
+    [-2, 0, 2], [-1, 0, 2], [0, 0, 2], [1, 0, 2], [2, 0, 2], [-2, 1, 2],
+
+    [-1, 1, 2], [0, 1, 2], [1, 1, 2], [2, 1, 2], [-2, 2, 2], [-1, 2, 2],
+
+    [0, 2, 2], [1, 2, 2], [2, 2, 2]]
+
+> posn_list_3d_size6 := map(ListTools[Reverse],
+> 			  hypercube_points([-2,-2,-2], [+3,+3,+3]));
+posn_list_3d_size6 := [[-2, -2, -2], [-1, -2, -2], [0, -2, -2], [1, -2, -2],
+
+    [2, -2, -2], [3, -2, -2], [-2, -1, -2], [-1, -1, -2], [0, -1, -2],
+
+    [1, -1, -2], [2, -1, -2], [3, -1, -2], [-2, 0, -2], [-1, 0, -2], [0, 0, -2],
+
+    [1, 0, -2], [2, 0, -2], [3, 0, -2], [-2, 1, -2], [-1, 1, -2], [0, 1, -2],
+
+    [1, 1, -2], [2, 1, -2], [3, 1, -2], [-2, 2, -2], [-1, 2, -2], [0, 2, -2],
+
+    [1, 2, -2], [2, 2, -2], [3, 2, -2], [-2, 3, -2], [-1, 3, -2], [0, 3, -2],
+
+    [1, 3, -2], [2, 3, -2], [3, 3, -2], [-2, -2, -1], [-1, -2, -1], [0, -2, -1],
+
+    [1, -2, -1], [2, -2, -1], [3, -2, -1], [-2, -1, -1], [-1, -1, -1],
+
+    [0, -1, -1], [1, -1, -1], [2, -1, -1], [3, -1, -1], [-2, 0, -1],
+
+    [-1, 0, -1], [0, 0, -1], [1, 0, -1], [2, 0, -1], [3, 0, -1], [-2, 1, -1],
+
+    [-1, 1, -1], [0, 1, -1], [1, 1, -1], [2, 1, -1], [3, 1, -1], [-2, 2, -1],
+
+    [-1, 2, -1], [0, 2, -1], [1, 2, -1], [2, 2, -1], [3, 2, -1], [-2, 3, -1],
+
+    [-1, 3, -1], [0, 3, -1], [1, 3, -1], [2, 3, -1], [3, 3, -1], [-2, -2, 0],
+
+    [-1, -2, 0], [0, -2, 0], [1, -2, 0], [2, -2, 0], [3, -2, 0], [-2, -1, 0],
+
+    [-1, -1, 0], [0, -1, 0], [1, -1, 0], [2, -1, 0], [3, -1, 0], [-2, 0, 0],
+
+    [-1, 0, 0], [0, 0, 0], [1, 0, 0], [2, 0, 0], [3, 0, 0], [-2, 1, 0],
+
+    [-1, 1, 0], [0, 1, 0], [1, 1, 0], [2, 1, 0], [3, 1, 0], [-2, 2, 0],
+
+    [-1, 2, 0], [0, 2, 0], [1, 2, 0], [2, 2, 0], [3, 2, 0], [-2, 3, 0],
+
+    [-1, 3, 0], [0, 3, 0], [1, 3, 0], [2, 3, 0], [3, 3, 0], [-2, -2, 1],
+
+    [-1, -2, 1], [0, -2, 1], [1, -2, 1], [2, -2, 1], [3, -2, 1], [-2, -1, 1],
+
+    [-1, -1, 1], [0, -1, 1], [1, -1, 1], [2, -1, 1], [3, -1, 1], [-2, 0, 1],
+
+    [-1, 0, 1], [0, 0, 1], [1, 0, 1], [2, 0, 1], [3, 0, 1], [-2, 1, 1],
+
+    [-1, 1, 1], [0, 1, 1], [1, 1, 1], [2, 1, 1], [3, 1, 1], [-2, 2, 1],
+
+    [-1, 2, 1], [0, 2, 1], [1, 2, 1], [2, 2, 1], [3, 2, 1], [-2, 3, 1],
+
+    [-1, 3, 1], [0, 3, 1], [1, 3, 1], [2, 3, 1], [3, 3, 1], [-2, -2, 2],
+
+    [-1, -2, 2], [0, -2, 2], [1, -2, 2], [2, -2, 2], [3, -2, 2], [-2, -1, 2],
+
+    [-1, -1, 2], [0, -1, 2], [1, -1, 2], [2, -1, 2], [3, -1, 2], [-2, 0, 2],
+
+    [-1, 0, 2], [0, 0, 2], [1, 0, 2], [2, 0, 2], [3, 0, 2], [-2, 1, 2],
+
+    [-1, 1, 2], [0, 1, 2], [1, 1, 2], [2, 1, 2], [3, 1, 2], [-2, 2, 2],
+
+    [-1, 2, 2], [0, 2, 2], [1, 2, 2], [2, 2, 2], [3, 2, 2], [-2, 3, 2],
+
+    [-1, 3, 2], [0, 3, 2], [1, 3, 2], [2, 3, 2], [3, 3, 2], [-2, -2, 3],
+
+    [-1, -2, 3], [0, -2, 3], [1, -2, 3], [2, -2, 3], [3, -2, 3], [-2, -1, 3],
+
+    [-1, -1, 3], [0, -1, 3], [1, -1, 3], [2, -1, 3], [3, -1, 3], [-2, 0, 3],
+
+    [-1, 0, 3], [0, 0, 3], [1, 0, 3], [2, 0, 3], [3, 0, 3], [-2, 1, 3],
+
+    [-1, 1, 3], [0, 1, 3], [1, 1, 3], [2, 1, 3], [3, 1, 3], [-2, 2, 3],
+
+    [-1, 2, 3], [0, 2, 3], [1, 2, 3], [2, 2, 3], [3, 2, 3], [-2, 3, 3],
+
+    [-1, 3, 3], [0, 3, 3], [1, 3, 3], [2, 3, 3], [3, 3, 3]]
+
+# Maple code to compute common coefficients for all 1d interpolation schemes
+# $Header$
+> 
+################################################################################
+> 
+#
+# generic stuff for 1d, cube, size=2
+#
+> 
+> data_list_1d_size2 := map(data_var_name, posn_list_1d_size2, "data_");
+                  data_list_1d_size2 := ["data_0", "data_p1"]
+
+> coeffs_list_1d_size2 := map(coeff_name, posn_list_1d_size2, "coeff_");
+                coeffs_list_1d_size2 := ["coeff_0", "coeff_p1"]
+
+> 
+> print_name_list_dcl(data_list_1d_size2, "fp",
+> 		    "1d.cube.size2/data-dcl.h");
+> print_name_list_dcl(coeffs_list_1d_size2, "fp",
+> 		    "1d.cube.size2/coeffs-dcl.h");
+> 
+> print_fetch_data(posn_list_1d_size2, "data->data_",
+> 		 "1d.cube.size2/fetch-data.c");
+> print_evaluate_molecule(posn_list_1d_size2,
+> 			"coeffs->coeff_", "data->data_",
+> 			"1d.cube.size2/evaluate-molecule.c");
+> print_store_coeffs(posn_list_1d_size2,
+> 		   "factor * coeffs->coeff_",
+> 		   "1d.cube.size2/store-coeffs.c");
+> 
+################################################################################
+> 
+#
+# generic stuff for 1d, cube, size=3
+#
+> 
+> data_list_1d_size3 := map(data_var_name, posn_list_1d_size3, "data_");
+             data_list_1d_size3 := ["data_m1", "data_0", "data_p1"]
+
+> coeffs_list_1d_size3 := map(coeff_name, posn_list_1d_size3, "coeff_");
+          coeffs_list_1d_size3 := ["coeff_m1", "coeff_0", "coeff_p1"]
+
+> 
+> print_name_list_dcl(data_list_1d_size3, "fp",
+> 		    "1d.cube.size3/data-dcl.h");
+> print_name_list_dcl(coeffs_list_1d_size3, "fp",
+> 		    "1d.cube.size3/coeffs-dcl.h");
+> 
+> print_fetch_data(posn_list_1d_size3, "data->data_",
+> 		 "1d.cube.size3/fetch-data.c");
+> print_evaluate_molecule(posn_list_1d_size3,
+> 			"coeffs->coeff_", "data->data_",
+> 			"1d.cube.size3/evaluate-molecule.c");
+> print_store_coeffs(posn_list_1d_size3,
+> 		   "factor * coeffs->coeff_",
+> 		   "1d.cube.size3/store-coeffs.c");
+> 
+################################################################################
+> 
+#
+# generic stuff for 1d, cube, size=4
+#
+> 
+> data_list_1d_size4 := map(data_var_name, posn_list_1d_size4, "data_");
+       data_list_1d_size4 := ["data_m1", "data_0", "data_p1", "data_p2"]
+
+> coeffs_list_1d_size4 := map(coeff_name, posn_list_1d_size4, "coeff_");
+    coeffs_list_1d_size4 := ["coeff_m1", "coeff_0", "coeff_p1", "coeff_p2"]
+
+> 
+> print_name_list_dcl(data_list_1d_size4, "fp",
+> 		    "1d.cube.size4/data-dcl.h");
+> print_name_list_dcl(coeffs_list_1d_size4, "fp",
+> 		    "1d.cube.size4/coeffs-dcl.h");
+> 
+> print_fetch_data(posn_list_1d_size4, "data->data_",
+> 		 "1d.cube.size4/fetch-data.c");
+> print_evaluate_molecule(posn_list_1d_size4,
+> 			"coeffs->coeff_", "data->data_",
+> 			"1d.cube.size4/evaluate-molecule.c");
+> print_store_coeffs(posn_list_1d_size4,
+> 		   "factor * coeffs->coeff_",
+> 		   "1d.cube.size4/store-coeffs.c");
+> 
+################################################################################
+> 
+#
+# generic stuff for 1d, cube, size=5
+#
+> 
+> data_list_1d_size5 := map(data_var_name, posn_list_1d_size5, "data_");
+  data_list_1d_size5 := ["data_m2", "data_m1", "data_0", "data_p1", "data_p2"]
+
+> coeffs_list_1d_size5 := map(coeff_name, posn_list_1d_size5, "coeff_");
+coeffs_list_1d_size5 :=
+
+    ["coeff_m2", "coeff_m1", "coeff_0", "coeff_p1", "coeff_p2"]
+
+> 
+> print_name_list_dcl(data_list_1d_size5, "fp",
+> 		    "1d.cube.size5/data-dcl.h");
+> print_name_list_dcl(coeffs_list_1d_size5, "fp",
+> 		    "1d.cube.size5/coeffs-dcl.h");
+> 
+> print_fetch_data(posn_list_1d_size5, "data->data_",
+> 		 "1d.cube.size5/fetch-data.c");
+> print_evaluate_molecule(posn_list_1d_size5,
+> 			"coeffs->coeff_", "data->data_",
+> 			"1d.cube.size5/evaluate-molecule.c");
+> print_store_coeffs(posn_list_1d_size5,
+> 		   "factor * coeffs->coeff_",
+> 		   "1d.cube.size5/store-coeffs.c");
+> 
+################################################################################
+> 
+#
+# generic stuff for 1d, cube, size=6
+#
+> 
+> data_list_1d_size6 := map(data_var_name, posn_list_1d_size6, "data_");
+data_list_1d_size6 :=
+
+    ["data_m2", "data_m1", "data_0", "data_p1", "data_p2", "data_p3"]
+
+> coeffs_list_1d_size6 := map(coeff_name, posn_list_1d_size6, "coeff_");
+coeffs_list_1d_size6 :=
+
+    ["coeff_m2", "coeff_m1", "coeff_0", "coeff_p1", "coeff_p2", "coeff_p3"]
+
+> 
+> print_name_list_dcl(data_list_1d_size6, "fp",
+> 		    "1d.cube.size6/data-dcl.h");
+> print_name_list_dcl(coeffs_list_1d_size6, "fp",
+> 		    "1d.cube.size6/coeffs-dcl.h");
+> 
+> print_fetch_data(posn_list_1d_size6, "data->data_",
+> 		 "1d.cube.size6/fetch-data.c");
+> print_evaluate_molecule(posn_list_1d_size6,
+> 			"coeffs->coeff_", "data->data_",
+> 			"1d.cube.size6/evaluate-molecule.c");
+> print_store_coeffs(posn_list_1d_size6,
+> 		   "factor * coeffs->coeff_",
+> 		   "1d.cube.size6/store-coeffs.c");
+> 
+################################################################################
+> 
+#
+# generic stuff for 1d, cube, size=7
+#
+> 
+> data_list_1d_size7 := map(data_var_name, posn_list_1d_size7, "data_");
+data_list_1d_size7 := [
+
+    "data_m3", "data_m2", "data_m1", "data_0", "data_p1", "data_p2", "data_p3"]
+
+> coeffs_list_1d_size7 := map(coeff_name, posn_list_1d_size7, "coeff_");
+coeffs_list_1d_size7 := ["coeff_m3", "coeff_m2", "coeff_m1", "coeff_0",
+
+    "coeff_p1", "coeff_p2", "coeff_p3"]
+
+> 
+> print_name_list_dcl(data_list_1d_size7, "fp",
+> 		    "1d.cube.size7/data-dcl.h");
+> print_name_list_dcl(coeffs_list_1d_size7, "fp",
+> 		    "1d.cube.size7/coeffs-dcl.h");
+> 
+> print_fetch_data(posn_list_1d_size7, "data->data_",
+> 		 "1d.cube.size7/fetch-data.c");
+> print_evaluate_molecule(posn_list_1d_size7,
+> 			"coeffs->coeff_", "data->data_",
+> 			"1d.cube.size7/evaluate-molecule.c");
+> print_store_coeffs(posn_list_1d_size7,
+> 		   "factor * coeffs->coeff_",
+> 		   "1d.cube.size7/store-coeffs.c");
+> 
+################################################################################
+> quit
+bytes used=584788, alloc=589716, time=0.10
diff --git a/src/common/1d.maple b/src/common/1d.maple
new file mode 100644
index 0000000..7c59834
--- /dev/null
+++ b/src/common/1d.maple
@@ -0,0 +1,142 @@
+# Maple code to compute common coefficients for all 1d interpolation schemes
+# $Header$
+
+################################################################################
+
+#
+# generic stuff for 1d, cube, size=2
+#
+
+data_list_1d_size2 := map(data_var_name, posn_list_1d_size2, "data_");
+coeffs_list_1d_size2 := map(coeff_name, posn_list_1d_size2, "coeff_");
+
+print_name_list_dcl(data_list_1d_size2, "fp",
+		    "1d.cube.size2/data-dcl.h");
+print_name_list_dcl(coeffs_list_1d_size2, "fp",
+		    "1d.cube.size2/coeffs-dcl.h");
+
+print_load_data(posn_list_1d_size2, "data->data_",
+		"1d.cube.size2/load-data.c");
+print_evaluate_molecule(posn_list_1d_size2,
+			"coeffs->coeff_", "data->data_",
+			"1d.cube.size2/evaluate-molecule.c");
+print_store_coeffs(posn_list_1d_size2,
+		   "factor * coeffs->coeff_",
+		   "1d.cube.size2/store-coeffs.c");
+
+################################################################################
+
+#
+# generic stuff for 1d, cube, size=3
+#
+
+data_list_1d_size3 := map(data_var_name, posn_list_1d_size3, "data_");
+coeffs_list_1d_size3 := map(coeff_name, posn_list_1d_size3, "coeff_");
+
+print_name_list_dcl(data_list_1d_size3, "fp",
+		    "1d.cube.size3/data-dcl.h");
+print_name_list_dcl(coeffs_list_1d_size3, "fp",
+		    "1d.cube.size3/coeffs-dcl.h");
+
+print_load_data(posn_list_1d_size3, "data->data_",
+		"1d.cube.size3/load-data.c");
+print_evaluate_molecule(posn_list_1d_size3,
+			"coeffs->coeff_", "data->data_",
+			"1d.cube.size3/evaluate-molecule.c");
+print_store_coeffs(posn_list_1d_size3,
+		   "factor * coeffs->coeff_",
+		   "1d.cube.size3/store-coeffs.c");
+
+################################################################################
+
+#
+# generic stuff for 1d, cube, size=4
+#
+
+data_list_1d_size4 := map(data_var_name, posn_list_1d_size4, "data_");
+coeffs_list_1d_size4 := map(coeff_name, posn_list_1d_size4, "coeff_");
+
+print_name_list_dcl(data_list_1d_size4, "fp",
+		    "1d.cube.size4/data-dcl.h");
+print_name_list_dcl(coeffs_list_1d_size4, "fp",
+		    "1d.cube.size4/coeffs-dcl.h");
+
+print_load_data(posn_list_1d_size4, "data->data_",
+		"1d.cube.size4/load-data.c");
+print_evaluate_molecule(posn_list_1d_size4,
+			"coeffs->coeff_", "data->data_",
+			"1d.cube.size4/evaluate-molecule.c");
+print_store_coeffs(posn_list_1d_size4,
+		   "factor * coeffs->coeff_",
+		   "1d.cube.size4/store-coeffs.c");
+
+################################################################################
+
+#
+# generic stuff for 1d, cube, size=5
+#
+
+data_list_1d_size5 := map(data_var_name, posn_list_1d_size5, "data_");
+coeffs_list_1d_size5 := map(coeff_name, posn_list_1d_size5, "coeff_");
+
+print_name_list_dcl(data_list_1d_size5, "fp",
+		    "1d.cube.size5/data-dcl.h");
+print_name_list_dcl(coeffs_list_1d_size5, "fp",
+		    "1d.cube.size5/coeffs-dcl.h");
+
+print_load_data(posn_list_1d_size5, "data->data_",
+		"1d.cube.size5/load-data.c");
+print_evaluate_molecule(posn_list_1d_size5,
+			"coeffs->coeff_", "data->data_",
+			"1d.cube.size5/evaluate-molecule.c");
+print_store_coeffs(posn_list_1d_size5,
+		   "factor * coeffs->coeff_",
+		   "1d.cube.size5/store-coeffs.c");
+
+################################################################################
+
+#
+# generic stuff for 1d, cube, size=6
+#
+
+data_list_1d_size6 := map(data_var_name, posn_list_1d_size6, "data_");
+coeffs_list_1d_size6 := map(coeff_name, posn_list_1d_size6, "coeff_");
+
+print_name_list_dcl(data_list_1d_size6, "fp",
+		    "1d.cube.size6/data-dcl.h");
+print_name_list_dcl(coeffs_list_1d_size6, "fp",
+		    "1d.cube.size6/coeffs-dcl.h");
+
+print_load_data(posn_list_1d_size6, "data->data_",
+		"1d.cube.size6/load-data.c");
+print_evaluate_molecule(posn_list_1d_size6,
+			"coeffs->coeff_", "data->data_",
+			"1d.cube.size6/evaluate-molecule.c");
+print_store_coeffs(posn_list_1d_size6,
+		   "factor * coeffs->coeff_",
+		   "1d.cube.size6/store-coeffs.c");
+
+################################################################################
+
+#
+# generic stuff for 1d, cube, size=7
+#
+
+data_list_1d_size7 := map(data_var_name, posn_list_1d_size7, "data_");
+coeffs_list_1d_size7 := map(coeff_name, posn_list_1d_size7, "coeff_");
+
+print_name_list_dcl(data_list_1d_size7, "fp",
+		    "1d.cube.size7/data-dcl.h");
+print_name_list_dcl(coeffs_list_1d_size7, "fp",
+		    "1d.cube.size7/coeffs-dcl.h");
+
+print_load_data(posn_list_1d_size7, "data->data_",
+		"1d.cube.size7/load-data.c");
+print_evaluate_molecule(posn_list_1d_size7,
+			"coeffs->coeff_", "data->data_",
+			"1d.cube.size7/evaluate-molecule.c");
+print_store_coeffs(posn_list_1d_size7,
+		   "factor * coeffs->coeff_",
+		   "1d.cube.size7/store-coeffs.c");
+
+################################################################################
diff --git a/src/common/2d.cube.size2/coeffs-dcl.h b/src/common/2d.cube.size2/coeffs-dcl.h
new file mode 100644
index 0000000..c52e5c6
--- /dev/null
+++ b/src/common/2d.cube.size2/coeffs-dcl.h
@@ -0,0 +1,4 @@
+fp coeff_0_0;
+fp coeff_p1_0;
+fp coeff_0_p1;
+fp coeff_p1_p1;
diff --git a/src/common/2d.cube.size2/data-dcl.h b/src/common/2d.cube.size2/data-dcl.h
new file mode 100644
index 0000000..b6bbee6
--- /dev/null
+++ b/src/common/2d.cube.size2/data-dcl.h
@@ -0,0 +1,4 @@
+fp data_0_0;
+fp data_p1_0;
+fp data_0_p1;
+fp data_p1_p1;
diff --git a/src/common/2d.cube.size2/evaluate-molecule.c b/src/common/2d.cube.size2/evaluate-molecule.c
new file mode 100644
index 0000000..a4232ef
--- /dev/null
+++ b/src/common/2d.cube.size2/evaluate-molecule.c
@@ -0,0 +1,4 @@
+    coeffs->coeff_0_0*data->data_0_0
+  + coeffs->coeff_p1_0*data->data_p1_0
+  + coeffs->coeff_0_p1*data->data_0_p1
+  + coeffs->coeff_p1_p1*data->data_p1_p1;
diff --git a/src/common/2d.cube.size2/load-data.c b/src/common/2d.cube.size2/load-data.c
new file mode 100644
index 0000000..dfc6c80
--- /dev/null
+++ b/src/common/2d.cube.size2/load-data.c
@@ -0,0 +1,4 @@
+data->data_0_0 = DATA(0,0);
+data->data_p1_0 = DATA(1,0);
+data->data_0_p1 = DATA(0,1);
+data->data_p1_p1 = DATA(1,1);
diff --git a/src/common/2d.cube.size2/store-coeffs.c b/src/common/2d.cube.size2/store-coeffs.c
new file mode 100644
index 0000000..1415ab1
--- /dev/null
+++ b/src/common/2d.cube.size2/store-coeffs.c
@@ -0,0 +1,4 @@
+COEFF(0,0) = factor * coeffs->coeff_0_0;
+COEFF(1,0) = factor * coeffs->coeff_p1_0;
+COEFF(0,1) = factor * coeffs->coeff_0_p1;
+COEFF(1,1) = factor * coeffs->coeff_p1_p1;
diff --git a/src/common/2d.cube.size3/coeffs-dcl.h b/src/common/2d.cube.size3/coeffs-dcl.h
new file mode 100644
index 0000000..1dfb73d
--- /dev/null
+++ b/src/common/2d.cube.size3/coeffs-dcl.h
@@ -0,0 +1,9 @@
+fp coeff_m1_m1;
+fp coeff_0_m1;
+fp coeff_p1_m1;
+fp coeff_m1_0;
+fp coeff_0_0;
+fp coeff_p1_0;
+fp coeff_m1_p1;
+fp coeff_0_p1;
+fp coeff_p1_p1;
diff --git a/src/common/2d.cube.size3/data-dcl.h b/src/common/2d.cube.size3/data-dcl.h
new file mode 100644
index 0000000..22dca3b
--- /dev/null
+++ b/src/common/2d.cube.size3/data-dcl.h
@@ -0,0 +1,9 @@
+fp data_m1_m1;
+fp data_0_m1;
+fp data_p1_m1;
+fp data_m1_0;
+fp data_0_0;
+fp data_p1_0;
+fp data_m1_p1;
+fp data_0_p1;
+fp data_p1_p1;
diff --git a/src/common/2d.cube.size3/evaluate-molecule.c b/src/common/2d.cube.size3/evaluate-molecule.c
new file mode 100644
index 0000000..b4d0c00
--- /dev/null
+++ b/src/common/2d.cube.size3/evaluate-molecule.c
@@ -0,0 +1,9 @@
+    coeffs->coeff_m1_m1*data->data_m1_m1
+  + coeffs->coeff_0_m1*data->data_0_m1
+  + coeffs->coeff_p1_m1*data->data_p1_m1
+  + coeffs->coeff_m1_0*data->data_m1_0
+  + coeffs->coeff_0_0*data->data_0_0
+  + coeffs->coeff_p1_0*data->data_p1_0
+  + coeffs->coeff_m1_p1*data->data_m1_p1
+  + coeffs->coeff_0_p1*data->data_0_p1
+  + coeffs->coeff_p1_p1*data->data_p1_p1;
diff --git a/src/common/2d.cube.size3/load-data.c b/src/common/2d.cube.size3/load-data.c
new file mode 100644
index 0000000..62725c2
--- /dev/null
+++ b/src/common/2d.cube.size3/load-data.c
@@ -0,0 +1,9 @@
+data->data_m1_m1 = DATA(-1,-1);
+data->data_0_m1 = DATA(0,-1);
+data->data_p1_m1 = DATA(1,-1);
+data->data_m1_0 = DATA(-1,0);
+data->data_0_0 = DATA(0,0);
+data->data_p1_0 = DATA(1,0);
+data->data_m1_p1 = DATA(-1,1);
+data->data_0_p1 = DATA(0,1);
+data->data_p1_p1 = DATA(1,1);
diff --git a/src/common/2d.cube.size3/store-coeffs.c b/src/common/2d.cube.size3/store-coeffs.c
new file mode 100644
index 0000000..2226970
--- /dev/null
+++ b/src/common/2d.cube.size3/store-coeffs.c
@@ -0,0 +1,9 @@
+COEFF(-1,-1) = factor * coeffs->coeff_m1_m1;
+COEFF(0,-1) = factor * coeffs->coeff_0_m1;
+COEFF(1,-1) = factor * coeffs->coeff_p1_m1;
+COEFF(-1,0) = factor * coeffs->coeff_m1_0;
+COEFF(0,0) = factor * coeffs->coeff_0_0;
+COEFF(1,0) = factor * coeffs->coeff_p1_0;
+COEFF(-1,1) = factor * coeffs->coeff_m1_p1;
+COEFF(0,1) = factor * coeffs->coeff_0_p1;
+COEFF(1,1) = factor * coeffs->coeff_p1_p1;
diff --git a/src/common/2d.cube.size4/coeffs-dcl.h b/src/common/2d.cube.size4/coeffs-dcl.h
new file mode 100644
index 0000000..beb0825
--- /dev/null
+++ b/src/common/2d.cube.size4/coeffs-dcl.h
@@ -0,0 +1,16 @@
+fp coeff_m1_m1;
+fp coeff_0_m1;
+fp coeff_p1_m1;
+fp coeff_p2_m1;
+fp coeff_m1_0;
+fp coeff_0_0;
+fp coeff_p1_0;
+fp coeff_p2_0;
+fp coeff_m1_p1;
+fp coeff_0_p1;
+fp coeff_p1_p1;
+fp coeff_p2_p1;
+fp coeff_m1_p2;
+fp coeff_0_p2;
+fp coeff_p1_p2;
+fp coeff_p2_p2;
diff --git a/src/common/2d.cube.size4/data-dcl.h b/src/common/2d.cube.size4/data-dcl.h
new file mode 100644
index 0000000..a55365f
--- /dev/null
+++ b/src/common/2d.cube.size4/data-dcl.h
@@ -0,0 +1,16 @@
+fp data_m1_m1;
+fp data_0_m1;
+fp data_p1_m1;
+fp data_p2_m1;
+fp data_m1_0;
+fp data_0_0;
+fp data_p1_0;
+fp data_p2_0;
+fp data_m1_p1;
+fp data_0_p1;
+fp data_p1_p1;
+fp data_p2_p1;
+fp data_m1_p2;
+fp data_0_p2;
+fp data_p1_p2;
+fp data_p2_p2;
diff --git a/src/common/2d.cube.size4/evaluate-molecule.c b/src/common/2d.cube.size4/evaluate-molecule.c
new file mode 100644
index 0000000..03e306b
--- /dev/null
+++ b/src/common/2d.cube.size4/evaluate-molecule.c
@@ -0,0 +1,16 @@
+    coeffs->coeff_m1_m1*data->data_m1_m1
+  + coeffs->coeff_0_m1*data->data_0_m1
+  + coeffs->coeff_p1_m1*data->data_p1_m1
+  + coeffs->coeff_p2_m1*data->data_p2_m1
+  + coeffs->coeff_m1_0*data->data_m1_0
+  + coeffs->coeff_0_0*data->data_0_0
+  + coeffs->coeff_p1_0*data->data_p1_0
+  + coeffs->coeff_p2_0*data->data_p2_0
+  + coeffs->coeff_m1_p1*data->data_m1_p1
+  + coeffs->coeff_0_p1*data->data_0_p1
+  + coeffs->coeff_p1_p1*data->data_p1_p1
+  + coeffs->coeff_p2_p1*data->data_p2_p1
+  + coeffs->coeff_m1_p2*data->data_m1_p2
+  + coeffs->coeff_0_p2*data->data_0_p2
+  + coeffs->coeff_p1_p2*data->data_p1_p2
+  + coeffs->coeff_p2_p2*data->data_p2_p2;
diff --git a/src/common/2d.cube.size4/load-data.c b/src/common/2d.cube.size4/load-data.c
new file mode 100644
index 0000000..ee17aca
--- /dev/null
+++ b/src/common/2d.cube.size4/load-data.c
@@ -0,0 +1,16 @@
+data->data_m1_m1 = DATA(-1,-1);
+data->data_0_m1 = DATA(0,-1);
+data->data_p1_m1 = DATA(1,-1);
+data->data_p2_m1 = DATA(2,-1);
+data->data_m1_0 = DATA(-1,0);
+data->data_0_0 = DATA(0,0);
+data->data_p1_0 = DATA(1,0);
+data->data_p2_0 = DATA(2,0);
+data->data_m1_p1 = DATA(-1,1);
+data->data_0_p1 = DATA(0,1);
+data->data_p1_p1 = DATA(1,1);
+data->data_p2_p1 = DATA(2,1);
+data->data_m1_p2 = DATA(-1,2);
+data->data_0_p2 = DATA(0,2);
+data->data_p1_p2 = DATA(1,2);
+data->data_p2_p2 = DATA(2,2);
diff --git a/src/common/2d.cube.size4/store-coeffs.c b/src/common/2d.cube.size4/store-coeffs.c
new file mode 100644
index 0000000..804500c
--- /dev/null
+++ b/src/common/2d.cube.size4/store-coeffs.c
@@ -0,0 +1,16 @@
+COEFF(-1,-1) = factor * coeffs->coeff_m1_m1;
+COEFF(0,-1) = factor * coeffs->coeff_0_m1;
+COEFF(1,-1) = factor * coeffs->coeff_p1_m1;
+COEFF(2,-1) = factor * coeffs->coeff_p2_m1;
+COEFF(-1,0) = factor * coeffs->coeff_m1_0;
+COEFF(0,0) = factor * coeffs->coeff_0_0;
+COEFF(1,0) = factor * coeffs->coeff_p1_0;
+COEFF(2,0) = factor * coeffs->coeff_p2_0;
+COEFF(-1,1) = factor * coeffs->coeff_m1_p1;
+COEFF(0,1) = factor * coeffs->coeff_0_p1;
+COEFF(1,1) = factor * coeffs->coeff_p1_p1;
+COEFF(2,1) = factor * coeffs->coeff_p2_p1;
+COEFF(-1,2) = factor * coeffs->coeff_m1_p2;
+COEFF(0,2) = factor * coeffs->coeff_0_p2;
+COEFF(1,2) = factor * coeffs->coeff_p1_p2;
+COEFF(2,2) = factor * coeffs->coeff_p2_p2;
diff --git a/src/common/2d.cube.size5/coeffs-dcl.h b/src/common/2d.cube.size5/coeffs-dcl.h
new file mode 100644
index 0000000..938560f
--- /dev/null
+++ b/src/common/2d.cube.size5/coeffs-dcl.h
@@ -0,0 +1,25 @@
+fp coeff_m2_m2;
+fp coeff_m1_m2;
+fp coeff_0_m2;
+fp coeff_p1_m2;
+fp coeff_p2_m2;
+fp coeff_m2_m1;
+fp coeff_m1_m1;
+fp coeff_0_m1;
+fp coeff_p1_m1;
+fp coeff_p2_m1;
+fp coeff_m2_0;
+fp coeff_m1_0;
+fp coeff_0_0;
+fp coeff_p1_0;
+fp coeff_p2_0;
+fp coeff_m2_p1;
+fp coeff_m1_p1;
+fp coeff_0_p1;
+fp coeff_p1_p1;
+fp coeff_p2_p1;
+fp coeff_m2_p2;
+fp coeff_m1_p2;
+fp coeff_0_p2;
+fp coeff_p1_p2;
+fp coeff_p2_p2;
diff --git a/src/common/2d.cube.size5/data-dcl.h b/src/common/2d.cube.size5/data-dcl.h
new file mode 100644
index 0000000..1e44205
--- /dev/null
+++ b/src/common/2d.cube.size5/data-dcl.h
@@ -0,0 +1,25 @@
+fp data_m2_m2;
+fp data_m1_m2;
+fp data_0_m2;
+fp data_p1_m2;
+fp data_p2_m2;
+fp data_m2_m1;
+fp data_m1_m1;
+fp data_0_m1;
+fp data_p1_m1;
+fp data_p2_m1;
+fp data_m2_0;
+fp data_m1_0;
+fp data_0_0;
+fp data_p1_0;
+fp data_p2_0;
+fp data_m2_p1;
+fp data_m1_p1;
+fp data_0_p1;
+fp data_p1_p1;
+fp data_p2_p1;
+fp data_m2_p2;
+fp data_m1_p2;
+fp data_0_p2;
+fp data_p1_p2;
+fp data_p2_p2;
diff --git a/src/common/2d.cube.size5/evaluate-molecule.c b/src/common/2d.cube.size5/evaluate-molecule.c
new file mode 100644
index 0000000..56cf50d
--- /dev/null
+++ b/src/common/2d.cube.size5/evaluate-molecule.c
@@ -0,0 +1,25 @@
+    coeffs->coeff_m2_m2*data->data_m2_m2
+  + coeffs->coeff_m1_m2*data->data_m1_m2
+  + coeffs->coeff_0_m2*data->data_0_m2
+  + coeffs->coeff_p1_m2*data->data_p1_m2
+  + coeffs->coeff_p2_m2*data->data_p2_m2
+  + coeffs->coeff_m2_m1*data->data_m2_m1
+  + coeffs->coeff_m1_m1*data->data_m1_m1
+  + coeffs->coeff_0_m1*data->data_0_m1
+  + coeffs->coeff_p1_m1*data->data_p1_m1
+  + coeffs->coeff_p2_m1*data->data_p2_m1
+  + coeffs->coeff_m2_0*data->data_m2_0
+  + coeffs->coeff_m1_0*data->data_m1_0
+  + coeffs->coeff_0_0*data->data_0_0
+  + coeffs->coeff_p1_0*data->data_p1_0
+  + coeffs->coeff_p2_0*data->data_p2_0
+  + coeffs->coeff_m2_p1*data->data_m2_p1
+  + coeffs->coeff_m1_p1*data->data_m1_p1
+  + coeffs->coeff_0_p1*data->data_0_p1
+  + coeffs->coeff_p1_p1*data->data_p1_p1
+  + coeffs->coeff_p2_p1*data->data_p2_p1
+  + coeffs->coeff_m2_p2*data->data_m2_p2
+  + coeffs->coeff_m1_p2*data->data_m1_p2
+  + coeffs->coeff_0_p2*data->data_0_p2
+  + coeffs->coeff_p1_p2*data->data_p1_p2
+  + coeffs->coeff_p2_p2*data->data_p2_p2;
diff --git a/src/common/2d.cube.size5/load-data.c b/src/common/2d.cube.size5/load-data.c
new file mode 100644
index 0000000..57bcf0e
--- /dev/null
+++ b/src/common/2d.cube.size5/load-data.c
@@ -0,0 +1,25 @@
+data->data_m2_m2 = DATA(-2,-2);
+data->data_m1_m2 = DATA(-1,-2);
+data->data_0_m2 = DATA(0,-2);
+data->data_p1_m2 = DATA(1,-2);
+data->data_p2_m2 = DATA(2,-2);
+data->data_m2_m1 = DATA(-2,-1);
+data->data_m1_m1 = DATA(-1,-1);
+data->data_0_m1 = DATA(0,-1);
+data->data_p1_m1 = DATA(1,-1);
+data->data_p2_m1 = DATA(2,-1);
+data->data_m2_0 = DATA(-2,0);
+data->data_m1_0 = DATA(-1,0);
+data->data_0_0 = DATA(0,0);
+data->data_p1_0 = DATA(1,0);
+data->data_p2_0 = DATA(2,0);
+data->data_m2_p1 = DATA(-2,1);
+data->data_m1_p1 = DATA(-1,1);
+data->data_0_p1 = DATA(0,1);
+data->data_p1_p1 = DATA(1,1);
+data->data_p2_p1 = DATA(2,1);
+data->data_m2_p2 = DATA(-2,2);
+data->data_m1_p2 = DATA(-1,2);
+data->data_0_p2 = DATA(0,2);
+data->data_p1_p2 = DATA(1,2);
+data->data_p2_p2 = DATA(2,2);
diff --git a/src/common/2d.cube.size5/store-coeffs.c b/src/common/2d.cube.size5/store-coeffs.c
new file mode 100644
index 0000000..aef1c88
--- /dev/null
+++ b/src/common/2d.cube.size5/store-coeffs.c
@@ -0,0 +1,25 @@
+COEFF(-2,-2) = factor * coeffs->coeff_m2_m2;
+COEFF(-1,-2) = factor * coeffs->coeff_m1_m2;
+COEFF(0,-2) = factor * coeffs->coeff_0_m2;
+COEFF(1,-2) = factor * coeffs->coeff_p1_m2;
+COEFF(2,-2) = factor * coeffs->coeff_p2_m2;
+COEFF(-2,-1) = factor * coeffs->coeff_m2_m1;
+COEFF(-1,-1) = factor * coeffs->coeff_m1_m1;
+COEFF(0,-1) = factor * coeffs->coeff_0_m1;
+COEFF(1,-1) = factor * coeffs->coeff_p1_m1;
+COEFF(2,-1) = factor * coeffs->coeff_p2_m1;
+COEFF(-2,0) = factor * coeffs->coeff_m2_0;
+COEFF(-1,0) = factor * coeffs->coeff_m1_0;
+COEFF(0,0) = factor * coeffs->coeff_0_0;
+COEFF(1,0) = factor * coeffs->coeff_p1_0;
+COEFF(2,0) = factor * coeffs->coeff_p2_0;
+COEFF(-2,1) = factor * coeffs->coeff_m2_p1;
+COEFF(-1,1) = factor * coeffs->coeff_m1_p1;
+COEFF(0,1) = factor * coeffs->coeff_0_p1;
+COEFF(1,1) = factor * coeffs->coeff_p1_p1;
+COEFF(2,1) = factor * coeffs->coeff_p2_p1;
+COEFF(-2,2) = factor * coeffs->coeff_m2_p2;
+COEFF(-1,2) = factor * coeffs->coeff_m1_p2;
+COEFF(0,2) = factor * coeffs->coeff_0_p2;
+COEFF(1,2) = factor * coeffs->coeff_p1_p2;
+COEFF(2,2) = factor * coeffs->coeff_p2_p2;
diff --git a/src/common/2d.cube.size6/coeffs-dcl.h b/src/common/2d.cube.size6/coeffs-dcl.h
new file mode 100644
index 0000000..4c4a072
--- /dev/null
+++ b/src/common/2d.cube.size6/coeffs-dcl.h
@@ -0,0 +1,36 @@
+fp coeff_m2_m2;
+fp coeff_m1_m2;
+fp coeff_0_m2;
+fp coeff_p1_m2;
+fp coeff_p2_m2;
+fp coeff_p3_m2;
+fp coeff_m2_m1;
+fp coeff_m1_m1;
+fp coeff_0_m1;
+fp coeff_p1_m1;
+fp coeff_p2_m1;
+fp coeff_p3_m1;
+fp coeff_m2_0;
+fp coeff_m1_0;
+fp coeff_0_0;
+fp coeff_p1_0;
+fp coeff_p2_0;
+fp coeff_p3_0;
+fp coeff_m2_p1;
+fp coeff_m1_p1;
+fp coeff_0_p1;
+fp coeff_p1_p1;
+fp coeff_p2_p1;
+fp coeff_p3_p1;
+fp coeff_m2_p2;
+fp coeff_m1_p2;
+fp coeff_0_p2;
+fp coeff_p1_p2;
+fp coeff_p2_p2;
+fp coeff_p3_p2;
+fp coeff_m2_p3;
+fp coeff_m1_p3;
+fp coeff_0_p3;
+fp coeff_p1_p3;
+fp coeff_p2_p3;
+fp coeff_p3_p3;
diff --git a/src/common/2d.cube.size6/data-dcl.h b/src/common/2d.cube.size6/data-dcl.h
new file mode 100644
index 0000000..ba435b4
--- /dev/null
+++ b/src/common/2d.cube.size6/data-dcl.h
@@ -0,0 +1,36 @@
+fp data_m2_m2;
+fp data_m1_m2;
+fp data_0_m2;
+fp data_p1_m2;
+fp data_p2_m2;
+fp data_p3_m2;
+fp data_m2_m1;
+fp data_m1_m1;
+fp data_0_m1;
+fp data_p1_m1;
+fp data_p2_m1;
+fp data_p3_m1;
+fp data_m2_0;
+fp data_m1_0;
+fp data_0_0;
+fp data_p1_0;
+fp data_p2_0;
+fp data_p3_0;
+fp data_m2_p1;
+fp data_m1_p1;
+fp data_0_p1;
+fp data_p1_p1;
+fp data_p2_p1;
+fp data_p3_p1;
+fp data_m2_p2;
+fp data_m1_p2;
+fp data_0_p2;
+fp data_p1_p2;
+fp data_p2_p2;
+fp data_p3_p2;
+fp data_m2_p3;
+fp data_m1_p3;
+fp data_0_p3;
+fp data_p1_p3;
+fp data_p2_p3;
+fp data_p3_p3;
diff --git a/src/common/2d.cube.size6/evaluate-molecule.c b/src/common/2d.cube.size6/evaluate-molecule.c
new file mode 100644
index 0000000..df0bde1
--- /dev/null
+++ b/src/common/2d.cube.size6/evaluate-molecule.c
@@ -0,0 +1,36 @@
+    coeffs->coeff_m2_m2*data->data_m2_m2
+  + coeffs->coeff_m1_m2*data->data_m1_m2
+  + coeffs->coeff_0_m2*data->data_0_m2
+  + coeffs->coeff_p1_m2*data->data_p1_m2
+  + coeffs->coeff_p2_m2*data->data_p2_m2
+  + coeffs->coeff_p3_m2*data->data_p3_m2
+  + coeffs->coeff_m2_m1*data->data_m2_m1
+  + coeffs->coeff_m1_m1*data->data_m1_m1
+  + coeffs->coeff_0_m1*data->data_0_m1
+  + coeffs->coeff_p1_m1*data->data_p1_m1
+  + coeffs->coeff_p2_m1*data->data_p2_m1
+  + coeffs->coeff_p3_m1*data->data_p3_m1
+  + coeffs->coeff_m2_0*data->data_m2_0
+  + coeffs->coeff_m1_0*data->data_m1_0
+  + coeffs->coeff_0_0*data->data_0_0
+  + coeffs->coeff_p1_0*data->data_p1_0
+  + coeffs->coeff_p2_0*data->data_p2_0
+  + coeffs->coeff_p3_0*data->data_p3_0
+  + coeffs->coeff_m2_p1*data->data_m2_p1
+  + coeffs->coeff_m1_p1*data->data_m1_p1
+  + coeffs->coeff_0_p1*data->data_0_p1
+  + coeffs->coeff_p1_p1*data->data_p1_p1
+  + coeffs->coeff_p2_p1*data->data_p2_p1
+  + coeffs->coeff_p3_p1*data->data_p3_p1
+  + coeffs->coeff_m2_p2*data->data_m2_p2
+  + coeffs->coeff_m1_p2*data->data_m1_p2
+  + coeffs->coeff_0_p2*data->data_0_p2
+  + coeffs->coeff_p1_p2*data->data_p1_p2
+  + coeffs->coeff_p2_p2*data->data_p2_p2
+  + coeffs->coeff_p3_p2*data->data_p3_p2
+  + coeffs->coeff_m2_p3*data->data_m2_p3
+  + coeffs->coeff_m1_p3*data->data_m1_p3
+  + coeffs->coeff_0_p3*data->data_0_p3
+  + coeffs->coeff_p1_p3*data->data_p1_p3
+  + coeffs->coeff_p2_p3*data->data_p2_p3
+  + coeffs->coeff_p3_p3*data->data_p3_p3;
diff --git a/src/common/2d.cube.size6/load-data.c b/src/common/2d.cube.size6/load-data.c
new file mode 100644
index 0000000..fc23eb3
--- /dev/null
+++ b/src/common/2d.cube.size6/load-data.c
@@ -0,0 +1,36 @@
+data->data_m2_m2 = DATA(-2,-2);
+data->data_m1_m2 = DATA(-1,-2);
+data->data_0_m2 = DATA(0,-2);
+data->data_p1_m2 = DATA(1,-2);
+data->data_p2_m2 = DATA(2,-2);
+data->data_p3_m2 = DATA(3,-2);
+data->data_m2_m1 = DATA(-2,-1);
+data->data_m1_m1 = DATA(-1,-1);
+data->data_0_m1 = DATA(0,-1);
+data->data_p1_m1 = DATA(1,-1);
+data->data_p2_m1 = DATA(2,-1);
+data->data_p3_m1 = DATA(3,-1);
+data->data_m2_0 = DATA(-2,0);
+data->data_m1_0 = DATA(-1,0);
+data->data_0_0 = DATA(0,0);
+data->data_p1_0 = DATA(1,0);
+data->data_p2_0 = DATA(2,0);
+data->data_p3_0 = DATA(3,0);
+data->data_m2_p1 = DATA(-2,1);
+data->data_m1_p1 = DATA(-1,1);
+data->data_0_p1 = DATA(0,1);
+data->data_p1_p1 = DATA(1,1);
+data->data_p2_p1 = DATA(2,1);
+data->data_p3_p1 = DATA(3,1);
+data->data_m2_p2 = DATA(-2,2);
+data->data_m1_p2 = DATA(-1,2);
+data->data_0_p2 = DATA(0,2);
+data->data_p1_p2 = DATA(1,2);
+data->data_p2_p2 = DATA(2,2);
+data->data_p3_p2 = DATA(3,2);
+data->data_m2_p3 = DATA(-2,3);
+data->data_m1_p3 = DATA(-1,3);
+data->data_0_p3 = DATA(0,3);
+data->data_p1_p3 = DATA(1,3);
+data->data_p2_p3 = DATA(2,3);
+data->data_p3_p3 = DATA(3,3);
diff --git a/src/common/2d.cube.size6/store-coeffs.c b/src/common/2d.cube.size6/store-coeffs.c
new file mode 100644
index 0000000..235f10c
--- /dev/null
+++ b/src/common/2d.cube.size6/store-coeffs.c
@@ -0,0 +1,36 @@
+COEFF(-2,-2) = factor * coeffs->coeff_m2_m2;
+COEFF(-1,-2) = factor * coeffs->coeff_m1_m2;
+COEFF(0,-2) = factor * coeffs->coeff_0_m2;
+COEFF(1,-2) = factor * coeffs->coeff_p1_m2;
+COEFF(2,-2) = factor * coeffs->coeff_p2_m2;
+COEFF(3,-2) = factor * coeffs->coeff_p3_m2;
+COEFF(-2,-1) = factor * coeffs->coeff_m2_m1;
+COEFF(-1,-1) = factor * coeffs->coeff_m1_m1;
+COEFF(0,-1) = factor * coeffs->coeff_0_m1;
+COEFF(1,-1) = factor * coeffs->coeff_p1_m1;
+COEFF(2,-1) = factor * coeffs->coeff_p2_m1;
+COEFF(3,-1) = factor * coeffs->coeff_p3_m1;
+COEFF(-2,0) = factor * coeffs->coeff_m2_0;
+COEFF(-1,0) = factor * coeffs->coeff_m1_0;
+COEFF(0,0) = factor * coeffs->coeff_0_0;
+COEFF(1,0) = factor * coeffs->coeff_p1_0;
+COEFF(2,0) = factor * coeffs->coeff_p2_0;
+COEFF(3,0) = factor * coeffs->coeff_p3_0;
+COEFF(-2,1) = factor * coeffs->coeff_m2_p1;
+COEFF(-1,1) = factor * coeffs->coeff_m1_p1;
+COEFF(0,1) = factor * coeffs->coeff_0_p1;
+COEFF(1,1) = factor * coeffs->coeff_p1_p1;
+COEFF(2,1) = factor * coeffs->coeff_p2_p1;
+COEFF(3,1) = factor * coeffs->coeff_p3_p1;
+COEFF(-2,2) = factor * coeffs->coeff_m2_p2;
+COEFF(-1,2) = factor * coeffs->coeff_m1_p2;
+COEFF(0,2) = factor * coeffs->coeff_0_p2;
+COEFF(1,2) = factor * coeffs->coeff_p1_p2;
+COEFF(2,2) = factor * coeffs->coeff_p2_p2;
+COEFF(3,2) = factor * coeffs->coeff_p3_p2;
+COEFF(-2,3) = factor * coeffs->coeff_m2_p3;
+COEFF(-1,3) = factor * coeffs->coeff_m1_p3;
+COEFF(0,3) = factor * coeffs->coeff_0_p3;
+COEFF(1,3) = factor * coeffs->coeff_p1_p3;
+COEFF(2,3) = factor * coeffs->coeff_p2_p3;
+COEFF(3,3) = factor * coeffs->coeff_p3_p3;
diff --git a/src/common/2d.log b/src/common/2d.log
new file mode 100644
index 0000000..fb77538
--- /dev/null
+++ b/src/common/2d.log
@@ -0,0 +1,1521 @@
+    |\^/|     Maple 7 (IBM INTEL LINUX)
+._|\|   |/|_. Copyright (c) 2001 by Waterloo Maple Inc.
+ \  MAPLE  /  All rights reserved. Maple is a registered trademark of
+ <____ ____>  Waterloo Maple Inc.
+      |       Type ? for help.
+# util.maple -- misc utility routines
+# $Header$
+> 
+#
+# fix_rationals - convert numbers to RATIONAL() calls
+# nonmatching_names - find names in a list which *don't* have a specified prefix
+# sprint_numeric_list - convert a numeric list to a valid C identifier suffix
+# print_name_list_dcl - print C declarations for a list of names
+#
+# hypercube_points - compute all (integer) points in an N-dimensional hypercube
+#
+# ftruncate - truncate a file to zero length
+#
+> 
+################################################################################
+################################################################################
+################################################################################
+> 
+#
+# This function converts all {integer, rational} subexpressions of its
+# input except integer exponents and -1 factors in products, into function
+# calls
+#	RATIONAL(num,den)
+# This is useful in conjunction with the  C() library function, since
+#
+#	C( (1/3) * foo * bar )
+#		t0 = foo*bar/3;
+#
+# generates a (slow) division (and runs the risk of mixed-mode-arithmetic
+# problems), while
+#
+#	C((1.0/3.0) * foo * bar);
+#	     t0 = 0.3333333333*foo*bar;
+#
+# suffers from roundoff error.  With this function,
+#
+#	fix_rationals((1/3) * foo * bar);
+#	     RATIONAL(1,3) foo bar
+#	C(%);
+#	     t0 = RATIONAL(1.0,3.0)*foo*bar;
+#
+# which a C preprocessor macro can easily convert to the desired
+#
+#	     t0 = (1.0/3.0)*foo*bar;
+#
+# Additionally, this function can be told to leave certain types of
+# subexpressions unconverged.  For example,
+#	fix_rationals(expr, type, specfunc(integer, DATA));
+# will leave all subexpressions of the form  DATA(integer arguments)
+# unconverted.
+#
+# Arguments:
+# expr = (in) The expression to be converted.
+# inert_fn = (optional in)
+#	     If specified, this argument should be a Boolean procedure
+#	     or the name of a Boolean procedure.  This procedure should
+#	     take one or more argument, and return true if and only if
+#	     the first argument should *not* be converted, i.e. if we
+#	     should leave this expression unchanged.  See the last
+#	     example above.
+# ... = (optional in)
+#	Any further arguments are passed as additional arguments to
+#	the inert_fn procedure.
+#
+> fix_rationals :=
+> proc(
+>     expr::{
+> 	        algebraic, name = algebraic,
+> 	  list({algebraic, name = algebraic}),
+> 	  set ({algebraic, name = algebraic})
+> 	  },
+>     inert_fn::{name, procedure}
+>     )
+> local nn, k,
+>       base, power, fbase, fpower,
+>       fn, fn_args_list,
+>       num, den, mult;
+> 
+# do we want to convert this expression?
+> if ((nargs >= 2) and inert_fn(expr, args[3..nargs]))
+>    then return expr;
+> end if;
+> 
+# recurse over lists and sets
+> if (type(expr, {list,set}))
+>    then return map(fix_rationals, expr, args[2..nargs]);
+> end if;
+> 
+# recurse over equation right hand sides
+> if (type(expr, name = algebraic))
+>    then return ( lhs(expr) = fix_rationals(rhs(expr), args[2..nargs]) );
+> end if;
+> 
+# recurse over functions other than  RATIONAL()
+> if (type(expr, function))
+>    then
+> 	fn := op(0, expr);
+> 	if (fn <> 'RATIONAL')
+> 	   then
+> 		fn_args_list := [op(expr)];
+> 		fn_args_list := map(fix_rationals, fn_args_list, args[2..nargs]);
+> 		fn; return '%'( op(fn_args_list) );
+> 	end if;
+> end if;
+> 
+> nn := nops(expr);
+> 
+# recurse over sums
+> if (type(expr, `+`))
+>    then return sum('fix_rationals(op(k,expr), args[2..nargs])', 'k'=1..nn);
+> end if;
+> 
+# recurse over products
+# ... leaving leading -1 factors intact, i.e. not converted to RATIONAL(-1,1)
+> if (type(expr, `*`))
+>    then
+> 	if (op(1, expr) = -1)
+> 	   then return -1*fix_rationals(remove(type, expr, 'identical(-1)'),
+> 				        args[2..nargs]);
+> 	   else return product('fix_rationals(op(k,expr), args[2..nargs])',
+> 			       'k'=1..nn);
+> 	end if;
+> end if;
+> 
+# recurse over powers
+# ... leaving integer exponents intact
+> if (type(expr, `^`))
+>    then
+> 	base := op(1, expr);
+> 	power := op(2, expr);
+> 
+> 	fbase := fix_rationals(base, args[2..nargs]);
+> 	if (type(power, integer))
+> 	   then fpower := power;
+> 	   else fpower := fix_rationals(power, args[2..nargs]);
+> 	end if;
+> 	return fbase ^ fpower;
+> end if;
+> 
+# fix integers and fractions
+> if (type(expr, integer))
+>    then return 'RATIONAL'(expr, 1);
+> end if;
+> if (type(expr, fraction))
+>    then
+> 	num := op(1, expr);
+> 	den := op(2, expr);
+> 
+> 	return 'RATIONAL'(num, den);
+> end if;
+> 
+# turn Maple floating-point into integer fraction, then recursively fix that
+> if (type(expr, float))
+>    then
+> 	mult := op(1, expr);
+> 	power := op(2, expr);
+> 	return fix_rationals(mult * 10^power, args[2..nargs]);
+> end if;
+> 
+# identity op on names
+> if (type(expr, name))
+>    then return expr;
+> end if;
+> 
+# unknown type
+> error "%0",
+>       "unknown type for expr!",
+>       "   whattype(expr) = ", whattype(expr),
+>       "   expr = ", expr;
+> end proc;
+fix_rationals := proc(expr::{algebraic, name = algebraic,
+list({algebraic, name = algebraic}), set({algebraic, name = algebraic})},
+inert_fn::{procedure, name})
+local nn, k, base, power, fbase, fpower, fn, fn_args_list, num, den, mult;
+    if 2 <= nargs and inert_fn(expr, args[3 .. nargs]) then return expr
+    end if;
+    if type(expr, {set, list}) then
+        return map(fix_rationals, expr, args[2 .. nargs])
+    end if;
+    if type(expr, name = algebraic) then
+        return lhs(expr) = fix_rationals(rhs(expr), args[2 .. nargs])
+    end if;
+    if type(expr, function) then
+        fn := op(0, expr);
+        if fn <> 'RATIONAL' then
+            fn_args_list := [op(expr)];
+            fn_args_list :=
+                map(fix_rationals, fn_args_list, args[2 .. nargs]);
+            fn;
+            return '%'(op(fn_args_list))
+        end if
+    end if;
+    nn := nops(expr);
+    if type(expr, `+`) then return
+        sum('fix_rationals(op(k, expr), args[2 .. nargs])', 'k' = 1 .. nn)
+    end if;
+    if type(expr, `*`) then
+        if op(1, expr) = -1 then return -fix_rationals(
+            remove(type, expr, 'identical(-1)'), args[2 .. nargs])
+        else return product('fix_rationals(op(k, expr), args[2 .. nargs])',
+            'k' = 1 .. nn)
+        end if
+    end if;
+    if type(expr, `^`) then
+        base := op(1, expr);
+        power := op(2, expr);
+        fbase := fix_rationals(base, args[2 .. nargs]);
+        if type(power, integer) then fpower := power
+        else fpower := fix_rationals(power, args[2 .. nargs])
+        end if;
+        return fbase^fpower
+    end if;
+    if type(expr, integer) then return 'RATIONAL'(expr, 1) end if;
+    if type(expr, fraction) then
+        num := op(1, expr); den := op(2, expr); return 'RATIONAL'(num, den)
+    end if;
+    if type(expr, float) then
+        mult := op(1, expr);
+        power := op(2, expr);
+        return fix_rationals(mult*10^power, args[2 .. nargs])
+    end if;
+    if type(expr, name) then return expr end if;
+    error "%0", "unknown type for expr!", "   whattype(expr) = ",
+        whattype(expr), "   expr = ", expr
+end proc
+
+> 
+################################################################################
+> 
+#
+# This function finds names in a list which *don't* have a specified prefix.
+#
+# Arguments:
+# name_list = A list of the names.
+# prefix = The prefix we want to filter out.
+#
+# Results:
+# This function returns the subset list of names which don't have the
+# specified prefix.
+# 
+> nonmatching_names :=
+> proc( name_list::list({name,string}), prefix::{name,string} )
+> 
+> select(   proc(n)
+> 	  evalb(not StringTools[IsPrefix](prefix,n));
+> 	  end proc
+> 	,
+> 	  name_list
+>       );
+> end proc;
+nonmatching_names := proc(
+name_list::list({name, string}), prefix::{name, string})
+    select(proc(n) evalb(not StringTools[IsPrefix](prefix, n)) end proc,
+    name_list)
+end proc
+
+> 
+################################################################################
+> 
+#
+# This function converts a numeric list to a string which is a valid
+# C identifier suffix: elements are separated by "_", decimal points are
+# replaced by "x", and all nonzero values have explicit +/- signs, which
+# are replaced by "p"/"m".
+#
+# For example, [0,-3.5,+4] --> "0_m3x5_p4".
+#
+> sprint_numeric_list :=
+> proc(nlist::list(numeric))
+> 
+# generate preliminary string, eg "+0_-3.5_+4"
+> map2(sprintf, "%+a", nlist);
+> ListTools[Join](%, "_");
+> cat(op(%));
+> 
+# fixup bad characters
+> StringTools[SubstituteAll](%, "+0", "0");
+> StringTools[CharacterMap](".+-", "xpm", %);
+> 
+> return %;
+> end proc;
+sprint_numeric_list := proc(nlist::list(numeric))
+    map2(sprintf, "%+a", nlist);
+    ListTools[Join](%, "_");
+    cat(op(%));
+    StringTools[SubstituteAll](%, "+0", "0");
+    StringTools[CharacterMap](".+-", "xpm", %);
+    return %
+end proc
+
+> 
+################################################################################
+> 
+#
+# This function prints a sequence of C declarations for a list of names.
+#
+# Argument:
+# name_list = A list of the names.
+# type_name = The C type of the names, eg. "double".
+# file_name = The file name to write the declaration to.  This is
+#	      truncated before writing.
+#
+> print_name_list_dcl :=
+> proc( name_list::list({name,string}),
+>       type_name::string,
+>       file_name::string )
+> local blanks, separator_string;
+> 
+> ftruncate(file_name);
+> 
+> map(
+>        proc(var::{name,string})
+>        fprintf(file_name,
+> 	       "%s %s;\n", 
+> 	       type_name, var);
+>        end proc
+>      ,
+>        name_list
+>    );
+> 
+> fclose(file_name);
+> NULL;
+> end proc;
+print_name_list_dcl := proc(
+name_list::list({name, string}), type_name::string, file_name::string)
+local blanks, separator_string;
+    ftruncate(file_name);
+    map(proc(var::{name, string})
+            fprintf(file_name, "%s %s;\n", type_name, var)
+        end proc, name_list);
+    fclose(file_name);
+    NULL
+end proc
+
+> 
+################################################################################
+################################################################################
+################################################################################
+> 
+#
+# This function computes a list of all the (integer) points in an
+# N-dimensional hypercube, in lexicographic order.  The present
+# implementation requires N <= 4.
+#
+# Arguments:
+# cmin,cmax = N-element lists of cube minimum/maximum coordinates.
+#
+# Results:
+# The function returns a set of d-element lists giving the coordinates.
+# For example,
+#	hypercube([0,0], [2,1]
+# returns
+#	{ [0,0], [0,1], [1,0], [1,1], [2,0], [2,1] }
+> hypercube_points :=
+> proc(cmin::list(integer), cmax::list(integer))
+> local N, i,j,k,l;
+> 
+> N := nops(cmin);
+> if (nops(cmax) <> N)
+>    then error 
+> 	"must have same number of dimensions for min and max coordinates!";
+> fi;
+> 
+> if   (N = 1)
+>    then return [seq([i], i=cmin[1]..cmax[1])];
+> elif (N = 2)
+>    then return [
+> 		 seq(
+> 		   seq([i,j], j=cmin[2]..cmax[2]),
+> 		   i=cmin[1]..cmax[1])
+> 	       ];
+> elif (N = 3)
+>    then return [
+> 		 seq(
+> 		   seq(
+> 		     seq([i,j,k], k=cmin[3]..cmax[3]),
+> 		     j=cmin[2]..cmax[2] ),
+> 		   i=cmin[1]..cmax[1])
+> 	       ];
+> elif (N = 4)
+>    then return [
+> 		 seq(
+> 		   seq(
+> 		     seq(
+> 		       seq([i,j,k,l], l=cmin[4]..cmax[4]),
+> 		       k=cmin[3]..cmax[3] ),
+> 		     j=cmin[2]..cmax[2]),
+> 		   i=cmin[1]..cmax[1])
+> 	       ];
+> else
+> 	error "implementation restriction: must have N <= 4, got %1!", N;
+> fi;
+> end proc;
+hypercube_points := proc(cmin::list(integer), cmax::list(integer))
+local N, i, j, k, l;
+    N := nops(cmin);
+    if nops(cmax) <> N then error
+        "must have same number of dimensions for min and max coordinates!"
+    end if;
+    if N = 1 then return [seq([i], i = cmin[1] .. cmax[1])]
+    elif N = 2 then return
+        [seq(seq([i, j], j = cmin[2] .. cmax[2]), i = cmin[1] .. cmax[1])]
+    elif N = 3 then return [seq(
+        seq(seq([i, j, k], k = cmin[3] .. cmax[3]), j = cmin[2] .. cmax[2])
+        , i = cmin[1] .. cmax[1])]
+    elif N = 4 then return [seq(seq(seq(
+        seq([i, j, k, l], l = cmin[4] .. cmax[4]), k = cmin[3] .. cmax[3]),
+        j = cmin[2] .. cmax[2]), i = cmin[1] .. cmax[1])]
+    else error "implementation restriction: must have N <= 4, got %1!", N
+    end if
+end proc
+
+> 
+################################################################################
+################################################################################
+################################################################################
+> 
+#
+# This function truncates a file to 0 length if it exists, or creates
+# it at that length if it doesn't exist.
+#
+# Arguments:
+# file_name = (in) The name of the file.
+#
+> ftruncate :=
+> proc(file_name::string)
+> fopen(file_name, 'WRITE');
+> fclose(%);
+> NULL;
+> end proc;
+ftruncate :=
+
+    proc(file_name::string) fopen(file_name, 'WRITE'); fclose(%); NULL end proc
+
+# interpolate.maple -- compute interpolation formulas/coefficients
+# $Header$
+> 
+#
+# <<<representation of numbers, data values, etc>>>
+# Lagrange_polynomial_interpolant - compute Lagrange polynomial interpolant
+# Hermite_polynomial_interpolant - compute Hermite polynomial interpolant
+# coeff_as_lc_of_data - coefficients of ... (linear combination of data)
+#
+# print_coeff__lc_of_data - print C code to compute coefficients
+# print_fetch_data - print C code to fetch input array chunk into struct data
+# print_store_coeffs - print C code to store struct coeffs "somewhere"
+# print_interp_cmpt__lc_of_data - print C code for computation of interpolant
+#
+# coeff_name - name of coefficient of data at a given [m] coordinate
+# data_var_name - name of variable storing data value at a given [m] coordinate
+#
+> 
+################################################################################
+> 
+#
+# ***** representation of numbers, data values, etc *****
+#
+# We use RATIONAL(p.0,q.0) to denote the rational number p/q.
+#
+# We use DATA(...) to represent the data values being interpolated at a
+# specified [m] coordinate, where the arguments are the [m] coordinates.
+#
+# We use COEFF(...) to represent the molecule coefficient at a specified
+# [m] coordinate, where the arguments are the [m] coordinates.
+#
+# For example, the usual 1-D centered 2nd order 1st derivative molecule
+# would be written
+#	RATIONAL(-1.0,2.0)*DATA(-1) + RATIONA(1.0,2.0)*DATA(1)
+# and its coefficients as
+#	COEFF(-1) = RATIONAL(-1.0,2.0)
+#	COEFF(1) = RATIONAL(1.0,2.0)
+#
+> 
+################################################################################
+################################################################################
+################################################################################
+> 
+#
+# This function computes a Lagrange polynomial interpolant in any
+# number of dimensions.
+#
+# Arguments:
+# fn = The interpolation function.  This should be a procedure in the
+#      coordinates, having the coefficients as global variables.  For
+#      example,
+#	  proc(x,y) c00 + c10*x + c01*y end proc
+# coeff_list = A set of the interpolation coefficients (coefficients in
+#	       the interpolation function), for example [c00, c10, c01].
+# coord_list = A list of the coordinates (independent variables in the
+#	       interpolation function), for example [x,y].
+# posn_list = A list of positions (each a list of numeric values) where the
+#	      interpolant is to use data, for example  hypercube([0,0], [1,1]).
+#	      Any positions may be used; if they're redundant (as in the
+#	      example) the least-squares interpolant is computed.
+#
+# Results:
+# This function returns the interpolating polynomial, in the form of
+# an algebraic expression in the coordinates and the data values.
+#
+> Lagrange_polynomial_interpolant :=
+> proc(
+>       fn::procedure, coeff_list::list(name),
+>       coord_list::list(name), posn_list::list(list(numeric))
+>     )
+> local posn, data_eqns, coeff_eqns;
+> 
+# coefficients of interpolating polynomial
+> data_eqns := {  seq( fn(op(posn))='DATA'(op(posn)) , posn=posn_list )  };
+> coeff_eqns := linalg[leastsqrs](data_eqns, {op(coeff_list)});
+> if (has(coeff_eqns, '_t'))
+>    then error "interpolation coefficients aren't uniquely determined!";
+> end if;
+> 
+# interpolant as a polynomial in the coordinates
+> return subs(coeff_eqns, eval(fn))(op(coord_list));
+> end proc;
+Lagrange_polynomial_interpolant := proc(fn::procedure, coeff_list::list(name),
+coord_list::list(name), posn_list::list(list(numeric)))
+local posn, data_eqns, coeff_eqns;
+    data_eqns := {seq(fn(op(posn)) = 'DATA'(op(posn)), posn = posn_list)};
+    coeff_eqns := linalg[leastsqrs](data_eqns, {op(coeff_list)});
+    if has(coeff_eqns, '_t') then
+        error "interpolation coefficients aren't uniquely determined!"
+    end if;
+    return subs(coeff_eqns, eval(fn))(op(coord_list))
+end proc
+
+> 
+################################################################################
+> 
+#
+# This function computes a Hermite polynomial interpolant in any
+# number of dimensions.  This is a polynomial which
+# * has values which match the given data DATA() at a specified set of
+#   points, and
+# * has derivatives which match the specified finite-difference derivatives
+#   of the given data DATA() at a specified set of points
+#
+# For the derivative matching, we actually match all possible products
+# of 1st derivatives, i.e. in 2-D we match dx, dy, and dxy, in 3-D we
+# match dx, dy, dz, dxy, dxz, dyz, and dxyz, etc etc.
+#
+# Arguments:
+# fn = The interpolation function.  This should be a procedure in the
+#      coordinates, having the coefficients as global variables.  For
+#      example,
+#		proc(x,y)
+#		+ c03*y^3 + c13*x*y^3 + c23*x^2*y^3 + c33*x^3*y^3
+#		+ c02*y^2 + c12*x*y^2 + c22*x^2*y^2 + c32*x^3*y^2
+#		+ c01*y   + c11*x*y   + c21*x^2*y   + c31*x^3*y
+#		+ c00     + c10*x     + c20*x^2     + c30*x^3
+#		end proc;
+# coeff_set = A set of the interpolation coefficients (coefficients in
+#	       the interpolation function), for example
+#			{
+#			c03, c13, c23, c33,
+#			c02, c12, c22, c32,
+#			c01, c11, c21, c31,
+#			c00, c10, c20, c30
+#			}
+# coord_list = A list of the coordinates (independent variables in the
+#	       interpolation function), for example [x,y].
+# deriv_set = A set of equations of the form
+#		{coords} = proc
+#	      giving the derivatives which are to be matched, and the
+#	      procedures to compute their finite-difference approximations.
+#	      Each procedure should take N_dims integer arguments specifying
+#	      an evaluation point, and return a suitable linear combination
+#	      of the DATA() for the derivative at that point.  For example
+#			{
+#			  {x}   = proc(i::integer, j::integer)
+#				  - 1/2*DATA(i-1,j) + 1/2*DATA(i+1,j)
+#				  end proc
+#			,
+#			  {y}   = proc(i::integer, j::integer)
+#				  - 1/2*DATA(i,j-1) + 1/2*DATA(i,j+1)
+#				  end proc
+#			,
+#			  {x,y} = proc(i::integer, j::integer)
+#				  - 1/4*DATA(i-1,j+1) + 1/4*DATA(i+1,j+1)
+#				  + 1/4*DATA(i-1,j-1) - 1/4*DATA(i+1,j-1)
+#				  end proc
+#			}
+# fn_posn_set = A set of positions (each a list of numeric values)
+#		where the interpolant is to match the given data DATA(),
+#		for example
+#			{[0,0], [0,1], [1,0], [1,1]}
+# deriv_posn_set = A list of positions (each a list of numeric values)
+#		   where the interpolant is to match the derivatives
+#		   specified by  deriv_set , for example
+#			{[0,0], [0,1], [1,0], [1,1]}
+#
+# Results:
+# This function returns the interpolating polynomial, in the form of
+# an algebraic expression in the coordinates and the data values.
+#
+> Hermite_polynomial_interpolant :=
+> proc(
+>       fn::procedure,
+>       coeff_set::set(name),
+>       coord_list::list(name),
+>       deriv_set::set(set(name) = procedure),
+>       fn_posn_set::set(list(numeric)),
+>       deriv_posn_set::set(list(numeric))
+>     )
+> local fn_eqnset, deriv_eqnset, coeff_eqns, subs_eqnset;
+> 
+> 
+#
+# compute a set of equations
+#	{fn(posn) = DATA(posn)}
+# giving the function values to be matched
+#
+> fn_eqnset := map(
+> 		    # return equation that fn(posn) = DATA(posn)
+> 		    proc(posn::list(integer))
+> 		    fn(op(posn)) = 'DATA'(op(posn));
+> 		    end proc
+> 		  ,
+> 		    fn_posn_set
+> 		);
+> 
+> 
+#
+# compute a set of equations
+#	{ diff(fn,coords)(posn) = DERIV(coords)(posn) }
+# giving the derivative values to be matched, where DERIV(coords)
+# is a placeholder for the appropriate derivative
+#
+> map(
+>        # return set of equations for this particular derivative
+>        proc(deriv_coords::set(name))
+>        local deriv_fn;
+>        fn(op(coord_list));
+>        diff(%, op(deriv_coords));
+>        deriv_fn := unapply(%, op(coord_list));
+>        map(
+> 	      proc(posn::list(integer))
+> 	      deriv_fn(op(posn)) = 'DERIV'(op(deriv_coords))(op(posn));
+> 	      end proc
+> 	    ,
+> 	      deriv_posn_set
+> 	  );
+>        end proc
+>      ,
+>        map(lhs, deriv_set)
+>    );
+> deriv_eqnset := `union`(op(%));
+> 
+> 
+#
+# solve overall set of equations for coefficients
+# in terms of DATA() and DERIV() values
+#
+> coeff_eqns := solve[linear](fn_eqnset union deriv_eqnset, coeff_set);
+> if (indets(map(rhs,%)) <> {})
+>    then error "no unique solution for coefficients -- %1 eqns for %2 coeffs",
+> 	      nops(fn_eqnset union deriv_eqnset),
+> 	      nops(coeff_set);
+> fi;
+> 
+> 
+#
+# compute a set of substitution equations
+#	{'DERIV'(coords) = procedure}
+#
+> subs_eqnset := map(
+> 		      proc(eqn::set(name) = procedure)
+> 		      'DERIV'(op(lhs(eqn))) = rhs(eqn);
+> 		      end proc
+> 		    ,
+> 		      deriv_set
+> 		  );
+> 
+> 
+#
+# compute the coefficients in terms of the DATA() values
+#
+> subs(subs_eqnset, coeff_eqns);
+> eval(%);
+> 
+#
+# compute the interpolant as a polynomial in the coordinates
+#
+> subs(%, fn(op(coord_list)));
+> end proc;
+Hermite_polynomial_interpolant := proc(fn::procedure, coeff_set::set(name),
+coord_list::list(name), deriv_set::set(set(name) = procedure),
+fn_posn_set::set(list(numeric)), deriv_posn_set::set(list(numeric)))
+local fn_eqnset, deriv_eqnset, coeff_eqns, subs_eqnset;
+    fn_eqnset := map(
+        proc(posn::list(integer)) fn(op(posn)) = 'DATA'(op(posn)) end proc,
+        fn_posn_set);
+    map(proc(deriv_coords::set(name))
+        local deriv_fn;
+            fn(op(coord_list));
+            diff(%, op(deriv_coords));
+            deriv_fn := unapply(%, op(coord_list));
+            map(proc(posn::list(integer))
+                    deriv_fn(op(posn)) =
+                    'DERIV'(op(deriv_coords))(op(posn))
+                end proc, deriv_posn_set)
+        end proc, map(lhs, deriv_set));
+    deriv_eqnset := `union`(op(%));
+    coeff_eqns := solve[linear](fn_eqnset union deriv_eqnset, coeff_set);
+    if indets(map(rhs, %)) <> {} then error
+        "no unique solution for coefficients -- %1 eqns for %2 coeffs",
+        nops(fn_eqnset union deriv_eqnset), nops(coeff_set)
+    end if;
+    subs_eqnset := map(proc(eqn::(set(name) = procedure))
+            'DERIV'(op(lhs(eqn))) = rhs(eqn)
+        end proc, deriv_set);
+    subs(subs_eqnset, coeff_eqns);
+    eval(%);
+    subs(%, fn(op(coord_list)))
+end proc
+
+> 
+################################################################################
+> 
+#
+# This function takes as input an interpolating polynomial, expresses
+# it as a linear combination of the data values, and returns the coefficeints
+# of that form.
+# 
+# Arguments:
+# interpolant = The interpolating polynomial (an algebraic expression
+#		in the coordinates and the data values).
+# posn_list = The same list of data positions used in the interpolant.
+#
+# Results:
+# This function returns the coefficients, as a list of equations of the
+# form   COEFF(...) = value , where each  value  is a polynomial in the
+# coordinates.  The order of the list matches that of  posn_list.
+#
+> coeff_as_lc_of_data :=
+> proc(
+>       interpolant::algebraic,
+>       posn_list::list(list(numeric))
+>     )
+> local data_list, interpolant_as_lc_of_data;
+> 
+# interpolant as a linear combination of the data values
+> data_list := [ seq( 'DATA'(op(posn)) , posn=posn_list ) ];
+> interpolant_as_lc_of_data := collect(interpolant, data_list);
+> 
+# coefficients of the data values in the linear combination
+> return map(
+> 	      proc(posn::list(numeric))
+> 	      coeff(interpolant_as_lc_of_data, DATA(op(posn)));
+> 	      'COEFF'(op(posn)) = %;
+> 	      end proc
+> 	    ,
+> 	      posn_list
+> 	  );
+> end proc;
+coeff_as_lc_of_data := proc(
+interpolant::algebraic, posn_list::list(list(numeric)))
+local data_list, interpolant_as_lc_of_data;
+    data_list := [seq('DATA'(op(posn)), posn = posn_list)];
+    interpolant_as_lc_of_data := collect(interpolant, data_list);
+    return map(proc(posn::list(numeric))
+            coeff(interpolant_as_lc_of_data, DATA(op(posn)));
+            'COEFF'(op(posn)) = %
+        end proc, posn_list)
+end proc
+
+> 
+################################################################################
+################################################################################
+################################################################################
+> 
+#
+# This function prints C expressions for the coefficients of an
+# interpolating polynomial.  (The polynomial is expressed as linear
+# combinations of the data values with coefficients which are
+# RATIONAL(p,q) calls.)
+#
+# Arguments:
+# coeff_list = A list of the coefficients, as returned from
+#	       coeff_as_lc_of_data() .
+# coeff_name_prefix = A prefix string for the coefficient names.
+# temp_name_type = The C type to be used for Maple-introduced temporary
+#		   names, eg. "double".
+# file_name = The file name to write the coefficients to.  This is
+#	      truncated before writing.
+#
+> print_coeff__lc_of_data :=
+> proc( coeff_list::list(specfunc(numeric,COEFF) = algebraic),
+>       coeff_name_prefix::string,
+>       temp_name_type::string,
+>       file_name::string )
+> global `codegen/C/function/informed`;
+> local coeff_list2, cmpt_list, temp_name_list;
+> 
+# convert LHS of each equation from a COEFF() call (eg COEFF(-1,+1))
+# to a Maple/C variable name (eg coeff_I_m1_p1)
+> coeff_list2 := map(
+> 		      proc(coeff_eqn::specfunc(numeric,COEFF) = algebraic)
+> 		      local posn;
+> 		      posn := [op(lhs(coeff_eqn))];
+> 		      coeff_name(posn,coeff_name_prefix);
+> 		      convert(%, name);	# codegen[C] wants LHS
+> 					# to be an actual Maple *name*
+> 		      % = fix_rationals(rhs(coeff_eqn));
+> 		      end proc
+> 		    ,
+> 		      coeff_list
+> 		  );
+> 
+#
+# generate the C code
+#
+> 
+# tell codegen[C] not to warn about unknown RATIONAL() and DATA() "fn calls"
+# via undocumented :( global table
+> `codegen/C/function/informed`['RATIONAL'] := true;
+> `codegen/C/function/informed`['DATA'] := true;
+> 
+> ftruncate(file_name);
+> 
+# optimized computation sequence for all the coefficients
+# (may use local variables t0,t1,t2,...)
+> cmpt_list := [codegen[optimize](coeff_list2, tryhard)];
+> 
+# list of the t0,t1,t2,... local variables
+> temp_name_list := nonmatching_names(map(lhs,cmpt_list), coeff_name_prefix);
+> 
+# declare the t0,t1,t2,... local variables (if there are any)
+> if (nops(temp_name_list) > 0)
+>    then print_name_list_dcl(%, temp_name_type, file_name);
+> fi;
+> 
+# now print the optimized computation sequence
+> codegen[C](cmpt_list, filename=file_name);
+> 
+> fclose(file_name);
+> 
+> NULL;
+> end proc;
+print_coeff__lc_of_data := proc(
+coeff_list::list(specfunc(numeric, COEFF) = algebraic),
+coeff_name_prefix::string, temp_name_type::string, file_name::string)
+local coeff_list2, cmpt_list, temp_name_list;
+global `codegen/C/function/informed`;
+    coeff_list2 := map(proc(
+        coeff_eqn::(specfunc(numeric, COEFF) = algebraic))
+        local posn;
+            posn := [op(lhs(coeff_eqn))];
+            coeff_name(posn, coeff_name_prefix);
+            convert(%, name);
+            % = fix_rationals(rhs(coeff_eqn))
+        end proc, coeff_list);
+    `codegen/C/function/informed`['RATIONAL'] := true;
+    `codegen/C/function/informed`['DATA'] := true;
+    ftruncate(file_name);
+    cmpt_list := [codegen[optimize](coeff_list2, tryhard)];
+    temp_name_list :=
+        nonmatching_names(map(lhs, cmpt_list), coeff_name_prefix);
+    if 0 < nops(temp_name_list) then
+        print_name_list_dcl(%, temp_name_type, file_name)
+    end if;
+    codegen[C](cmpt_list, filename = file_name);
+    fclose(file_name);
+    NULL
+end proc
+
+> 
+################################################################################
+> 
+#
+# This function prints a sequence of C expression to assign the data-value
+# variables, eg
+#	data->data_m1_p1 = DATA(-1,1);
+#
+# Arguments:
+# posn_list = The same list of positions as was used to compute the
+#	      interpolating polynomial.
+# data_var_name_prefix = A prefix string for the data variable names.
+# file_name = The file name to write the coefficients to.  This is
+#	      truncated before writing.
+#
+> print_fetch_data :=
+> proc(
+>       posn_list::list(list(numeric)),
+>       data_var_name_prefix::string,
+>       file_name::string
+>     )
+> 
+> ftruncate(file_name);
+> map(
+>        proc(posn::list(numeric))
+>        fprintf(file_name,
+> 	       "%s = %a;\n",
+> 	       data_var_name(posn,data_var_name_prefix),
+> 	       DATA(op(posn)));
+>        end proc
+>      ,
+>        posn_list
+>    );
+> fclose(file_name);
+> 
+> NULL;
+> end proc;
+print_fetch_data := proc(posn_list::list(list(numeric)),
+data_var_name_prefix::string, file_name::string)
+    ftruncate(file_name);
+    map(proc(posn::list(numeric))
+            fprintf(file_name, "%s = %a;\n",
+            data_var_name(posn, data_var_name_prefix), DATA(op(posn)))
+        end proc, posn_list);
+    fclose(file_name);
+    NULL
+end proc
+
+> 
+################################################################################
+> 
+#
+# This function prints a sequence of C expression to store the interpolation
+# coefficients in  COEFF(...)  expressions, eg
+#	COEFF(1,-1) = factor * coeffs->coeff_p1_m1;
+#
+# Arguments:
+# posn_list = The list of positions in the molecule.
+# coeff_name_prefix = A prefix string for the coefficient names,
+#		      eg "factor * coeffs->coeff_"
+# file_name = The file name to write the coefficients to.  This is
+#	      truncated before writing.
+#
+> print_store_coeffs :=
+> proc(
+>       posn_list::list(list(numeric)),
+>       coeff_name_prefix::string,
+>       file_name::string
+>     )
+> 
+> ftruncate(file_name);
+> map(
+>        proc(posn::list(numeric))
+>        fprintf(file_name,
+> 	       "%a = %s;\n",
+> 	       'COEFF'(op(posn)),
+> 	       coeff_name(posn,coeff_name_prefix));
+>        end proc
+>      ,
+>        posn_list
+>    );
+> fclose(file_name);
+> 
+> NULL;
+> end proc;
+print_store_coeffs := proc(posn_list::list(list(numeric)),
+coeff_name_prefix::string, file_name::string)
+    ftruncate(file_name);
+    map(proc(posn::list(numeric))
+            fprintf(file_name, "%a = %s;\n", 'COEFF'(op(posn)),
+            coeff_name(posn, coeff_name_prefix))
+        end proc, posn_list);
+    fclose(file_name);
+    NULL
+end proc
+
+> 
+################################################################################
+> 
+#
+# This function prints a C expression to evaluate a molecule, i.e.
+# to compute the molecule as a linear combination of the data values.
+#
+# Arguments:
+# posn_list = The list of positions in the molecule.
+# coeff_name_prefix = A prefix string for the coefficient names.
+# data_var_name_prefix = A prefix string for the data variable names.
+# file_name = The file name to write the coefficients to.  This is
+#	      truncated before writing.
+#
+> print_evaluate_molecule :=
+> proc(
+>       posn_list::list(list(numeric)),
+>       coeff_name_prefix::string,
+>       data_var_name_prefix::string,
+>       file_name::string
+>     )
+> 
+> ftruncate(file_name);
+> 
+# list of "coeff*data_var" terms
+> map(
+>        proc(posn::list(numeric))
+>        sprintf("%s*%s",
+> 	       coeff_name(posn,coeff_name_prefix),
+> 	       data_var_name(posn,data_var_name_prefix));
+>        end proc
+>      ,
+>        posn_list
+>    );
+> 
+> ListTools[Join](%, "\n  + ");
+> cat(op(%));
+> fprintf(file_name, "    %s;\n", %);
+> 
+> fclose(file_name);
+> 
+> NULL;
+> end proc;
+print_evaluate_molecule := proc(posn_list::list(list(numeric)),
+coeff_name_prefix::string, data_var_name_prefix::string, file_name::string)
+    ftruncate(file_name);
+    map(proc(posn::list(numeric))
+            sprintf("%s*%s", coeff_name(posn, coeff_name_prefix),
+            data_var_name(posn, data_var_name_prefix))
+        end proc, posn_list);
+    ListTools[Join](%, "\n  + ");
+    cat(op(%));
+    fprintf(file_name, "    %s;\n", %);
+    fclose(file_name);
+    NULL
+end proc
+
+> 
+################################################################################
+################################################################################
+################################################################################
+> 
+#
+# This function computes the name of the coefficient of the data at a
+# given [m] position, i.e. it encapsulates our naming convention for this.
+#
+# Arguments:
+# posn = (in) The [m] coordinates.
+# name_prefix = A prefix string for the coefficient name.
+#
+# Results:
+# The function returns the coefficient, as a Maple string.
+#
+> coeff_name :=
+> proc(posn::list(numeric), name_prefix::string)
+> cat(name_prefix, sprint_numeric_list(posn));
+> end proc;
+coeff_name := proc(posn::list(numeric), name_prefix::string)
+    cat(name_prefix, sprint_numeric_list(posn))
+end proc
+
+> 
+################################################################################
+> 
+#
+# This function computes the name of the variable in which the C code
+# will store the input data at a given [m] position, i.e. it encapsulates
+# our naming convention for this.
+#
+# Arguments:
+# posn = (in) The [m] coordinates.
+# name_prefix = A prefix string for the variable name.
+#
+# Results:
+# The function returns the variable name, as a Maple string.
+#
+> data_var_name :=
+> proc(posn::list(numeric), name_prefix::string)
+> cat(name_prefix, sprint_numeric_list(posn));
+> end proc;
+data_var_name := proc(posn::list(numeric), name_prefix::string)
+    cat(name_prefix, sprint_numeric_list(posn))
+end proc
+
+# Maple code to compute lists of point positions in hypercube-shaped molecules
+# $Header$
+> 
+################################################################################
+> 
+#
+# 1D interpolation points
+#
+> posn_list_1d_size2 := hypercube_points([ 0], [+1]);
+                        posn_list_1d_size2 := [[0], [1]]
+
+> posn_list_1d_size3 := hypercube_points([-1], [+1]);
+                     posn_list_1d_size3 := [[-1], [0], [1]]
+
+> posn_list_1d_size4 := hypercube_points([-1], [+2]);
+                  posn_list_1d_size4 := [[-1], [0], [1], [2]]
+
+> posn_list_1d_size5 := hypercube_points([-2], [+2]);
+               posn_list_1d_size5 := [[-2], [-1], [0], [1], [2]]
+
+> posn_list_1d_size6 := hypercube_points([-2], [+3]);
+             posn_list_1d_size6 := [[-2], [-1], [0], [1], [2], [3]]
+
+> posn_list_1d_size7 := hypercube_points([-3], [+3]);
+          posn_list_1d_size7 := [[-3], [-2], [-1], [0], [1], [2], [3]]
+
+> 
+################################################################################
+> 
+#
+# 2D interpolation points (Fortran ordering)
+#
+> posn_list_2d_size2 := map(ListTools[Reverse],
+> 			  hypercube_points([ 0, 0], [+1,+1]));
+             posn_list_2d_size2 := [[0, 0], [1, 0], [0, 1], [1, 1]]
+
+> posn_list_2d_size3 := map(ListTools[Reverse],
+> 			  hypercube_points([-1,-1], [+1,+1]));
+posn_list_2d_size3 := [[-1, -1], [0, -1], [1, -1], [-1, 0], [0, 0], [1, 0],
+
+    [-1, 1], [0, 1], [1, 1]]
+
+> posn_list_2d_size4 := map(ListTools[Reverse],
+> 			  hypercube_points([-1,-1], [+2,+2]));
+posn_list_2d_size4 := [[-1, -1], [0, -1], [1, -1], [2, -1], [-1, 0], [0, 0],
+
+    [1, 0], [2, 0], [-1, 1], [0, 1], [1, 1], [2, 1], [-1, 2], [0, 2], [1, 2],
+
+    [2, 2]]
+
+> posn_list_2d_size5 := map(ListTools[Reverse],
+> 			  hypercube_points([-2,-2], [+2,+2]));
+posn_list_2d_size5 := [[-2, -2], [-1, -2], [0, -2], [1, -2], [2, -2], [-2, -1],
+
+    [-1, -1], [0, -1], [1, -1], [2, -1], [-2, 0], [-1, 0], [0, 0], [1, 0],
+
+    [2, 0], [-2, 1], [-1, 1], [0, 1], [1, 1], [2, 1], [-2, 2], [-1, 2], [0, 2],
+
+    [1, 2], [2, 2]]
+
+> posn_list_2d_size6 := map(ListTools[Reverse],
+> 			  hypercube_points([-2,-2], [+3,+3]));
+posn_list_2d_size6 := [[-2, -2], [-1, -2], [0, -2], [1, -2], [2, -2], [3, -2],
+
+    [-2, -1], [-1, -1], [0, -1], [1, -1], [2, -1], [3, -1], [-2, 0], [-1, 0],
+
+    [0, 0], [1, 0], [2, 0], [3, 0], [-2, 1], [-1, 1], [0, 1], [1, 1], [2, 1],
+
+    [3, 1], [-2, 2], [-1, 2], [0, 2], [1, 2], [2, 2], [3, 2], [-2, 3], [-1, 3],
+
+    [0, 3], [1, 3], [2, 3], [3, 3]]
+
+> 
+################################################################################
+> 
+#
+# 3D interpolation points (Fortran ordering)
+#
+> posn_list_3d_size2 := map(ListTools[Reverse],
+> 			  hypercube_points([ 0, 0, 0], [+1,+1,+1]));
+posn_list_3d_size2 := [[0, 0, 0], [1, 0, 0], [0, 1, 0], [1, 1, 0], [0, 0, 1],
+
+    [1, 0, 1], [0, 1, 1], [1, 1, 1]]
+
+> posn_list_3d_size3 := map(ListTools[Reverse],
+> 			  hypercube_points([-1,-1,-1], [+1,+1,+1]));
+posn_list_3d_size3 := [[-1, -1, -1], [0, -1, -1], [1, -1, -1], [-1, 0, -1],
+
+    [0, 0, -1], [1, 0, -1], [-1, 1, -1], [0, 1, -1], [1, 1, -1], [-1, -1, 0],
+
+    [0, -1, 0], [1, -1, 0], [-1, 0, 0], [0, 0, 0], [1, 0, 0], [-1, 1, 0],
+
+    [0, 1, 0], [1, 1, 0], [-1, -1, 1], [0, -1, 1], [1, -1, 1], [-1, 0, 1],
+
+    [0, 0, 1], [1, 0, 1], [-1, 1, 1], [0, 1, 1], [1, 1, 1]]
+
+> posn_list_3d_size4 := map(ListTools[Reverse],
+> 			  hypercube_points([-1,-1,-1], [+2,+2,+2]));
+posn_list_3d_size4 := [[-1, -1, -1], [0, -1, -1], [1, -1, -1], [2, -1, -1],
+
+    [-1, 0, -1], [0, 0, -1], [1, 0, -1], [2, 0, -1], [-1, 1, -1], [0, 1, -1],
+
+    [1, 1, -1], [2, 1, -1], [-1, 2, -1], [0, 2, -1], [1, 2, -1], [2, 2, -1],
+
+    [-1, -1, 0], [0, -1, 0], [1, -1, 0], [2, -1, 0], [-1, 0, 0], [0, 0, 0],
+
+    [1, 0, 0], [2, 0, 0], [-1, 1, 0], [0, 1, 0], [1, 1, 0], [2, 1, 0],
+
+    [-1, 2, 0], [0, 2, 0], [1, 2, 0], [2, 2, 0], [-1, -1, 1], [0, -1, 1],
+
+    [1, -1, 1], [2, -1, 1], [-1, 0, 1], [0, 0, 1], [1, 0, 1], [2, 0, 1],
+
+    [-1, 1, 1], [0, 1, 1], [1, 1, 1], [2, 1, 1], [-1, 2, 1], [0, 2, 1],
+
+    [1, 2, 1], [2, 2, 1], [-1, -1, 2], [0, -1, 2], [1, -1, 2], [2, -1, 2],
+
+    [-1, 0, 2], [0, 0, 2], [1, 0, 2], [2, 0, 2], [-1, 1, 2], [0, 1, 2],
+
+    [1, 1, 2], [2, 1, 2], [-1, 2, 2], [0, 2, 2], [1, 2, 2], [2, 2, 2]]
+
+> posn_list_3d_size5 := map(ListTools[Reverse],
+> 			  hypercube_points([-2,-2,-2], [+2,+2,+2]));
+posn_list_3d_size5 := [[-2, -2, -2], [-1, -2, -2], [0, -2, -2], [1, -2, -2],
+
+    [2, -2, -2], [-2, -1, -2], [-1, -1, -2], [0, -1, -2], [1, -1, -2],
+
+    [2, -1, -2], [-2, 0, -2], [-1, 0, -2], [0, 0, -2], [1, 0, -2], [2, 0, -2],
+
+    [-2, 1, -2], [-1, 1, -2], [0, 1, -2], [1, 1, -2], [2, 1, -2], [-2, 2, -2],
+
+    [-1, 2, -2], [0, 2, -2], [1, 2, -2], [2, 2, -2], [-2, -2, -1], [-1, -2, -1],
+
+    [0, -2, -1], [1, -2, -1], [2, -2, -1], [-2, -1, -1], [-1, -1, -1],
+
+    [0, -1, -1], [1, -1, -1], [2, -1, -1], [-2, 0, -1], [-1, 0, -1], [0, 0, -1],
+
+    [1, 0, -1], [2, 0, -1], [-2, 1, -1], [-1, 1, -1], [0, 1, -1], [1, 1, -1],
+
+    [2, 1, -1], [-2, 2, -1], [-1, 2, -1], [0, 2, -1], [1, 2, -1], [2, 2, -1],
+
+    [-2, -2, 0], [-1, -2, 0], [0, -2, 0], [1, -2, 0], [2, -2, 0], [-2, -1, 0],
+
+    [-1, -1, 0], [0, -1, 0], [1, -1, 0], [2, -1, 0], [-2, 0, 0], [-1, 0, 0],
+
+    [0, 0, 0], [1, 0, 0], [2, 0, 0], [-2, 1, 0], [-1, 1, 0], [0, 1, 0],
+
+    [1, 1, 0], [2, 1, 0], [-2, 2, 0], [-1, 2, 0], [0, 2, 0], [1, 2, 0],
+
+    [2, 2, 0], [-2, -2, 1], [-1, -2, 1], [0, -2, 1], [1, -2, 1], [2, -2, 1],
+
+    [-2, -1, 1], [-1, -1, 1], [0, -1, 1], [1, -1, 1], [2, -1, 1], [-2, 0, 1],
+
+    [-1, 0, 1], [0, 0, 1], [1, 0, 1], [2, 0, 1], [-2, 1, 1], [-1, 1, 1],
+
+    [0, 1, 1], [1, 1, 1], [2, 1, 1], [-2, 2, 1], [-1, 2, 1], [0, 2, 1],
+
+    [1, 2, 1], [2, 2, 1], [-2, -2, 2], [-1, -2, 2], [0, -2, 2], [1, -2, 2],
+
+    [2, -2, 2], [-2, -1, 2], [-1, -1, 2], [0, -1, 2], [1, -1, 2], [2, -1, 2],
+
+    [-2, 0, 2], [-1, 0, 2], [0, 0, 2], [1, 0, 2], [2, 0, 2], [-2, 1, 2],
+
+    [-1, 1, 2], [0, 1, 2], [1, 1, 2], [2, 1, 2], [-2, 2, 2], [-1, 2, 2],
+
+    [0, 2, 2], [1, 2, 2], [2, 2, 2]]
+
+> posn_list_3d_size6 := map(ListTools[Reverse],
+> 			  hypercube_points([-2,-2,-2], [+3,+3,+3]));
+posn_list_3d_size6 := [[-2, -2, -2], [-1, -2, -2], [0, -2, -2], [1, -2, -2],
+
+    [2, -2, -2], [3, -2, -2], [-2, -1, -2], [-1, -1, -2], [0, -1, -2],
+
+    [1, -1, -2], [2, -1, -2], [3, -1, -2], [-2, 0, -2], [-1, 0, -2], [0, 0, -2],
+
+    [1, 0, -2], [2, 0, -2], [3, 0, -2], [-2, 1, -2], [-1, 1, -2], [0, 1, -2],
+
+    [1, 1, -2], [2, 1, -2], [3, 1, -2], [-2, 2, -2], [-1, 2, -2], [0, 2, -2],
+
+    [1, 2, -2], [2, 2, -2], [3, 2, -2], [-2, 3, -2], [-1, 3, -2], [0, 3, -2],
+
+    [1, 3, -2], [2, 3, -2], [3, 3, -2], [-2, -2, -1], [-1, -2, -1], [0, -2, -1],
+
+    [1, -2, -1], [2, -2, -1], [3, -2, -1], [-2, -1, -1], [-1, -1, -1],
+
+    [0, -1, -1], [1, -1, -1], [2, -1, -1], [3, -1, -1], [-2, 0, -1],
+
+    [-1, 0, -1], [0, 0, -1], [1, 0, -1], [2, 0, -1], [3, 0, -1], [-2, 1, -1],
+
+    [-1, 1, -1], [0, 1, -1], [1, 1, -1], [2, 1, -1], [3, 1, -1], [-2, 2, -1],
+
+    [-1, 2, -1], [0, 2, -1], [1, 2, -1], [2, 2, -1], [3, 2, -1], [-2, 3, -1],
+
+    [-1, 3, -1], [0, 3, -1], [1, 3, -1], [2, 3, -1], [3, 3, -1], [-2, -2, 0],
+
+    [-1, -2, 0], [0, -2, 0], [1, -2, 0], [2, -2, 0], [3, -2, 0], [-2, -1, 0],
+
+    [-1, -1, 0], [0, -1, 0], [1, -1, 0], [2, -1, 0], [3, -1, 0], [-2, 0, 0],
+
+    [-1, 0, 0], [0, 0, 0], [1, 0, 0], [2, 0, 0], [3, 0, 0], [-2, 1, 0],
+
+    [-1, 1, 0], [0, 1, 0], [1, 1, 0], [2, 1, 0], [3, 1, 0], [-2, 2, 0],
+
+    [-1, 2, 0], [0, 2, 0], [1, 2, 0], [2, 2, 0], [3, 2, 0], [-2, 3, 0],
+
+    [-1, 3, 0], [0, 3, 0], [1, 3, 0], [2, 3, 0], [3, 3, 0], [-2, -2, 1],
+
+    [-1, -2, 1], [0, -2, 1], [1, -2, 1], [2, -2, 1], [3, -2, 1], [-2, -1, 1],
+
+    [-1, -1, 1], [0, -1, 1], [1, -1, 1], [2, -1, 1], [3, -1, 1], [-2, 0, 1],
+
+    [-1, 0, 1], [0, 0, 1], [1, 0, 1], [2, 0, 1], [3, 0, 1], [-2, 1, 1],
+
+    [-1, 1, 1], [0, 1, 1], [1, 1, 1], [2, 1, 1], [3, 1, 1], [-2, 2, 1],
+
+    [-1, 2, 1], [0, 2, 1], [1, 2, 1], [2, 2, 1], [3, 2, 1], [-2, 3, 1],
+
+    [-1, 3, 1], [0, 3, 1], [1, 3, 1], [2, 3, 1], [3, 3, 1], [-2, -2, 2],
+
+    [-1, -2, 2], [0, -2, 2], [1, -2, 2], [2, -2, 2], [3, -2, 2], [-2, -1, 2],
+
+    [-1, -1, 2], [0, -1, 2], [1, -1, 2], [2, -1, 2], [3, -1, 2], [-2, 0, 2],
+
+    [-1, 0, 2], [0, 0, 2], [1, 0, 2], [2, 0, 2], [3, 0, 2], [-2, 1, 2],
+
+    [-1, 1, 2], [0, 1, 2], [1, 1, 2], [2, 1, 2], [3, 1, 2], [-2, 2, 2],
+
+    [-1, 2, 2], [0, 2, 2], [1, 2, 2], [2, 2, 2], [3, 2, 2], [-2, 3, 2],
+
+    [-1, 3, 2], [0, 3, 2], [1, 3, 2], [2, 3, 2], [3, 3, 2], [-2, -2, 3],
+
+    [-1, -2, 3], [0, -2, 3], [1, -2, 3], [2, -2, 3], [3, -2, 3], [-2, -1, 3],
+
+    [-1, -1, 3], [0, -1, 3], [1, -1, 3], [2, -1, 3], [3, -1, 3], [-2, 0, 3],
+
+    [-1, 0, 3], [0, 0, 3], [1, 0, 3], [2, 0, 3], [3, 0, 3], [-2, 1, 3],
+
+    [-1, 1, 3], [0, 1, 3], [1, 1, 3], [2, 1, 3], [3, 1, 3], [-2, 2, 3],
+
+    [-1, 2, 3], [0, 2, 3], [1, 2, 3], [2, 2, 3], [3, 2, 3], [-2, 3, 3],
+
+    [-1, 3, 3], [0, 3, 3], [1, 3, 3], [2, 3, 3], [3, 3, 3]]
+
+# Maple code to compute common coefficients for all 2d interpolation schemes
+# $Header$
+> 
+################################################################################
+> 
+#
+# generic stuff for 2d, cube, size=2
+#
+> 
+> data_list_2d_size2 := map(data_var_name, posn_list_2d_size2, "data_");
+   data_list_2d_size2 := ["data_0_0", "data_p1_0", "data_0_p1", "data_p1_p1"]
+
+> coeffs_list_2d_size2 := map(coeff_name, posn_list_2d_size2, "coeff_");
+coeffs_list_2d_size2 :=
+
+    ["coeff_0_0", "coeff_p1_0", "coeff_0_p1", "coeff_p1_p1"]
+
+> 
+> print_name_list_dcl(data_list_2d_size2, "fp",
+> 		    "2d.cube.size2/data-dcl.h");
+> print_name_list_dcl(coeffs_list_2d_size2, "fp",
+> 		    "2d.cube.size2/coeffs-dcl.h");
+> 
+> print_fetch_data(posn_list_2d_size2, "data->data_",
+> 		 "2d.cube.size2/fetch-data.c");
+> print_evaluate_molecule(posn_list_2d_size2,
+> 			"coeffs->coeff_", "data->data_",
+> 			"2d.cube.size2/evaluate-molecule.c");
+> print_store_coeffs(posn_list_2d_size2,
+> 		   "factor * coeffs->coeff_",
+> 		   "2d.cube.size2/store-coeffs.c");
+> 
+################################################################################
+> 
+#
+# generic stuff for 2d, cube, size=3
+#
+> 
+> data_list_2d_size3 := map(data_var_name, posn_list_2d_size3, "data_");
+data_list_2d_size3 := ["data_m1_m1", "data_0_m1", "data_p1_m1", "data_m1_0",
+
+    "data_0_0", "data_p1_0", "data_m1_p1", "data_0_p1", "data_p1_p1"]
+
+> coeffs_list_2d_size3 := map(coeff_name, posn_list_2d_size3, "coeff_");
+coeffs_list_2d_size3 := ["coeff_m1_m1", "coeff_0_m1", "coeff_p1_m1",
+
+    "coeff_m1_0", "coeff_0_0", "coeff_p1_0", "coeff_m1_p1", "coeff_0_p1",
+
+    "coeff_p1_p1"]
+
+> 
+> print_name_list_dcl(data_list_2d_size3, "fp",
+> 		    "2d.cube.size3/data-dcl.h");
+> print_name_list_dcl(coeffs_list_2d_size3, "fp",
+> 		    "2d.cube.size3/coeffs-dcl.h");
+> 
+> print_fetch_data(posn_list_2d_size3, "data->data_",
+> 		 "2d.cube.size3/fetch-data.c");
+> print_evaluate_molecule(posn_list_2d_size3,
+> 			"coeffs->coeff_", "data->data_",
+> 			"2d.cube.size3/evaluate-molecule.c");
+> print_store_coeffs(posn_list_2d_size3,
+> 		   "factor * coeffs->coeff_",
+> 		   "2d.cube.size3/store-coeffs.c");
+> 
+################################################################################
+> 
+#
+# generic stuff for 2d, cube, size=4
+#
+> 
+> data_list_2d_size4 := map(data_var_name, posn_list_2d_size4, "data_");
+data_list_2d_size4 := ["data_m1_m1", "data_0_m1", "data_p1_m1", "data_p2_m1",
+
+    "data_m1_0", "data_0_0", "data_p1_0", "data_p2_0", "data_m1_p1",
+
+    "data_0_p1", "data_p1_p1", "data_p2_p1", "data_m1_p2", "data_0_p2",
+
+    "data_p1_p2", "data_p2_p2"]
+
+> coeffs_list_2d_size4 := map(coeff_name, posn_list_2d_size4, "coeff_");
+coeffs_list_2d_size4 := ["coeff_m1_m1", "coeff_0_m1", "coeff_p1_m1",
+
+    "coeff_p2_m1", "coeff_m1_0", "coeff_0_0", "coeff_p1_0", "coeff_p2_0",
+
+    "coeff_m1_p1", "coeff_0_p1", "coeff_p1_p1", "coeff_p2_p1", "coeff_m1_p2",
+
+    "coeff_0_p2", "coeff_p1_p2", "coeff_p2_p2"]
+
+> 
+> print_name_list_dcl(data_list_2d_size4, "fp",
+> 		    "2d.cube.size4/data-dcl.h");
+> print_name_list_dcl(coeffs_list_2d_size4, "fp",
+> 		    "2d.cube.size4/coeffs-dcl.h");
+> 
+> print_fetch_data(posn_list_2d_size4, "data->data_",
+> 		 "2d.cube.size4/fetch-data.c");
+> print_evaluate_molecule(posn_list_2d_size4,
+> 			"coeffs->coeff_", "data->data_",
+> 			"2d.cube.size4/evaluate-molecule.c");
+> print_store_coeffs(posn_list_2d_size4,
+> 		   "factor * coeffs->coeff_",
+> 		   "2d.cube.size4/store-coeffs.c");
+> 
+################################################################################
+> 
+#
+# generic stuff for 2d, cube, size=5
+#
+> 
+> data_list_2d_size5 := map(data_var_name, posn_list_2d_size5, "data_");
+data_list_2d_size5 := ["data_m2_m2", "data_m1_m2", "data_0_m2", "data_p1_m2",
+
+    "data_p2_m2", "data_m2_m1", "data_m1_m1", "data_0_m1", "data_p1_m1",
+
+    "data_p2_m1", "data_m2_0", "data_m1_0", "data_0_0", "data_p1_0",
+
+    "data_p2_0", "data_m2_p1", "data_m1_p1", "data_0_p1", "data_p1_p1",
+
+    "data_p2_p1", "data_m2_p2", "data_m1_p2", "data_0_p2", "data_p1_p2",
+
+    "data_p2_p2"]
+
+> coeffs_list_2d_size5 := map(coeff_name, posn_list_2d_size5, "coeff_");
+coeffs_list_2d_size5 := ["coeff_m2_m2", "coeff_m1_m2", "coeff_0_m2",
+
+    "coeff_p1_m2", "coeff_p2_m2", "coeff_m2_m1", "coeff_m1_m1", "coeff_0_m1",
+
+    "coeff_p1_m1", "coeff_p2_m1", "coeff_m2_0", "coeff_m1_0", "coeff_0_0",
+
+    "coeff_p1_0", "coeff_p2_0", "coeff_m2_p1", "coeff_m1_p1", "coeff_0_p1",
+
+    "coeff_p1_p1", "coeff_p2_p1", "coeff_m2_p2", "coeff_m1_p2", "coeff_0_p2",
+
+    "coeff_p1_p2", "coeff_p2_p2"]
+
+> 
+> print_name_list_dcl(data_list_2d_size5, "fp",
+> 		    "2d.cube.size5/data-dcl.h");
+> print_name_list_dcl(coeffs_list_2d_size5, "fp",
+> 		    "2d.cube.size5/coeffs-dcl.h");
+> 
+> print_fetch_data(posn_list_2d_size5, "data->data_",
+> 		 "2d.cube.size5/fetch-data.c");
+> print_evaluate_molecule(posn_list_2d_size5,
+> 			"coeffs->coeff_", "data->data_",
+> 			"2d.cube.size5/evaluate-molecule.c");
+> print_store_coeffs(posn_list_2d_size5,
+> 		   "factor * coeffs->coeff_",
+> 		   "2d.cube.size5/store-coeffs.c");
+> 
+################################################################################
+> 
+#
+# generic stuff for 2d, cube, size=6
+#
+> 
+> data_list_2d_size6 := map(data_var_name, posn_list_2d_size6, "data_");
+data_list_2d_size6 := ["data_m2_m2", "data_m1_m2", "data_0_m2", "data_p1_m2",
+
+    "data_p2_m2", "data_p3_m2", "data_m2_m1", "data_m1_m1", "data_0_m1",
+
+    "data_p1_m1", "data_p2_m1", "data_p3_m1", "data_m2_0", "data_m1_0",
+
+    "data_0_0", "data_p1_0", "data_p2_0", "data_p3_0", "data_m2_p1",
+
+    "data_m1_p1", "data_0_p1", "data_p1_p1", "data_p2_p1", "data_p3_p1",
+
+    "data_m2_p2", "data_m1_p2", "data_0_p2", "data_p1_p2", "data_p2_p2",
+
+    "data_p3_p2", "data_m2_p3", "data_m1_p3", "data_0_p3", "data_p1_p3",
+
+    "data_p2_p3", "data_p3_p3"]
+
+> coeffs_list_2d_size6 := map(coeff_name, posn_list_2d_size6, "coeff_");
+coeffs_list_2d_size6 := ["coeff_m2_m2", "coeff_m1_m2", "coeff_0_m2",
+
+    "coeff_p1_m2", "coeff_p2_m2", "coeff_p3_m2", "coeff_m2_m1", "coeff_m1_m1",
+
+    "coeff_0_m1", "coeff_p1_m1", "coeff_p2_m1", "coeff_p3_m1", "coeff_m2_0",
+
+    "coeff_m1_0", "coeff_0_0", "coeff_p1_0", "coeff_p2_0", "coeff_p3_0",
+
+    "coeff_m2_p1", "coeff_m1_p1", "coeff_0_p1", "coeff_p1_p1", "coeff_p2_p1",
+
+    "coeff_p3_p1", "coeff_m2_p2", "coeff_m1_p2", "coeff_0_p2", "coeff_p1_p2",
+
+    "coeff_p2_p2", "coeff_p3_p2", "coeff_m2_p3", "coeff_m1_p3", "coeff_0_p3",
+
+    "coeff_p1_p3", "coeff_p2_p3", "coeff_p3_p3"]
+
+> 
+> print_name_list_dcl(data_list_2d_size6, "fp",
+> 		    "2d.cube.size6/data-dcl.h");
+> print_name_list_dcl(coeffs_list_2d_size6, "fp",
+> 		    "2d.cube.size6/coeffs-dcl.h");
+> 
+> print_fetch_data(posn_list_2d_size6, "data->data_",
+> 		 "2d.cube.size6/fetch-data.c");
+> print_evaluate_molecule(posn_list_2d_size6,
+> 			"coeffs->coeff_", "data->data_",
+> 			"2d.cube.size6/evaluate-molecule.c");
+> print_store_coeffs(posn_list_2d_size6,
+> 		   "factor * coeffs->coeff_",
+> 		   "2d.cube.size6/store-coeffs.c");
+> quit
+bytes used=976064, alloc=917336, time=0.08
diff --git a/src/common/2d.maple b/src/common/2d.maple
new file mode 100644
index 0000000..3d1d3cf
--- /dev/null
+++ b/src/common/2d.maple
@@ -0,0 +1,117 @@
+# Maple code to compute common coefficients for all 2d interpolation schemes
+# $Header$
+
+################################################################################
+
+#
+# generic stuff for 2d, cube, size=2
+#
+
+data_list_2d_size2 := map(data_var_name, posn_list_2d_size2, "data_");
+coeffs_list_2d_size2 := map(coeff_name, posn_list_2d_size2, "coeff_");
+
+print_name_list_dcl(data_list_2d_size2, "fp",
+		    "2d.cube.size2/data-dcl.h");
+print_name_list_dcl(coeffs_list_2d_size2, "fp",
+		    "2d.cube.size2/coeffs-dcl.h");
+
+print_load_data(posn_list_2d_size2, "data->data_",
+		"2d.cube.size2/load-data.c");
+print_evaluate_molecule(posn_list_2d_size2,
+			"coeffs->coeff_", "data->data_",
+			"2d.cube.size2/evaluate-molecule.c");
+print_store_coeffs(posn_list_2d_size2,
+		   "factor * coeffs->coeff_",
+		   "2d.cube.size2/store-coeffs.c");
+
+################################################################################
+
+#
+# generic stuff for 2d, cube, size=3
+#
+
+data_list_2d_size3 := map(data_var_name, posn_list_2d_size3, "data_");
+coeffs_list_2d_size3 := map(coeff_name, posn_list_2d_size3, "coeff_");
+
+print_name_list_dcl(data_list_2d_size3, "fp",
+		    "2d.cube.size3/data-dcl.h");
+print_name_list_dcl(coeffs_list_2d_size3, "fp",
+		    "2d.cube.size3/coeffs-dcl.h");
+
+print_load_data(posn_list_2d_size3, "data->data_",
+		"2d.cube.size3/load-data.c");
+print_evaluate_molecule(posn_list_2d_size3,
+			"coeffs->coeff_", "data->data_",
+			"2d.cube.size3/evaluate-molecule.c");
+print_store_coeffs(posn_list_2d_size3,
+		   "factor * coeffs->coeff_",
+		   "2d.cube.size3/store-coeffs.c");
+
+################################################################################
+
+#
+# generic stuff for 2d, cube, size=4
+#
+
+data_list_2d_size4 := map(data_var_name, posn_list_2d_size4, "data_");
+coeffs_list_2d_size4 := map(coeff_name, posn_list_2d_size4, "coeff_");
+
+print_name_list_dcl(data_list_2d_size4, "fp",
+		    "2d.cube.size4/data-dcl.h");
+print_name_list_dcl(coeffs_list_2d_size4, "fp",
+		    "2d.cube.size4/coeffs-dcl.h");
+
+print_load_data(posn_list_2d_size4, "data->data_",
+		"2d.cube.size4/load-data.c");
+print_evaluate_molecule(posn_list_2d_size4,
+			"coeffs->coeff_", "data->data_",
+			"2d.cube.size4/evaluate-molecule.c");
+print_store_coeffs(posn_list_2d_size4,
+		   "factor * coeffs->coeff_",
+		   "2d.cube.size4/store-coeffs.c");
+
+################################################################################
+
+#
+# generic stuff for 2d, cube, size=5
+#
+
+data_list_2d_size5 := map(data_var_name, posn_list_2d_size5, "data_");
+coeffs_list_2d_size5 := map(coeff_name, posn_list_2d_size5, "coeff_");
+
+print_name_list_dcl(data_list_2d_size5, "fp",
+		    "2d.cube.size5/data-dcl.h");
+print_name_list_dcl(coeffs_list_2d_size5, "fp",
+		    "2d.cube.size5/coeffs-dcl.h");
+
+print_load_data(posn_list_2d_size5, "data->data_",
+		"2d.cube.size5/load-data.c");
+print_evaluate_molecule(posn_list_2d_size5,
+			"coeffs->coeff_", "data->data_",
+			"2d.cube.size5/evaluate-molecule.c");
+print_store_coeffs(posn_list_2d_size5,
+		   "factor * coeffs->coeff_",
+		   "2d.cube.size5/store-coeffs.c");
+
+################################################################################
+
+#
+# generic stuff for 2d, cube, size=6
+#
+
+data_list_2d_size6 := map(data_var_name, posn_list_2d_size6, "data_");
+coeffs_list_2d_size6 := map(coeff_name, posn_list_2d_size6, "coeff_");
+
+print_name_list_dcl(data_list_2d_size6, "fp",
+		    "2d.cube.size6/data-dcl.h");
+print_name_list_dcl(coeffs_list_2d_size6, "fp",
+		    "2d.cube.size6/coeffs-dcl.h");
+
+print_load_data(posn_list_2d_size6, "data->data_",
+		"2d.cube.size6/load-data.c");
+print_evaluate_molecule(posn_list_2d_size6,
+			"coeffs->coeff_", "data->data_",
+			"2d.cube.size6/evaluate-molecule.c");
+print_store_coeffs(posn_list_2d_size6,
+		   "factor * coeffs->coeff_",
+		   "2d.cube.size6/store-coeffs.c");
diff --git a/src/common/3d.cube.size2/coeffs-dcl.h b/src/common/3d.cube.size2/coeffs-dcl.h
new file mode 100644
index 0000000..fc144be
--- /dev/null
+++ b/src/common/3d.cube.size2/coeffs-dcl.h
@@ -0,0 +1,8 @@
+fp coeff_0_0_0;
+fp coeff_p1_0_0;
+fp coeff_0_p1_0;
+fp coeff_p1_p1_0;
+fp coeff_0_0_p1;
+fp coeff_p1_0_p1;
+fp coeff_0_p1_p1;
+fp coeff_p1_p1_p1;
diff --git a/src/common/3d.cube.size2/data-dcl.h b/src/common/3d.cube.size2/data-dcl.h
new file mode 100644
index 0000000..a45f786
--- /dev/null
+++ b/src/common/3d.cube.size2/data-dcl.h
@@ -0,0 +1,8 @@
+fp data_0_0_0;
+fp data_p1_0_0;
+fp data_0_p1_0;
+fp data_p1_p1_0;
+fp data_0_0_p1;
+fp data_p1_0_p1;
+fp data_0_p1_p1;
+fp data_p1_p1_p1;
diff --git a/src/common/3d.cube.size2/evaluate-molecule.c b/src/common/3d.cube.size2/evaluate-molecule.c
new file mode 100644
index 0000000..ca7209f
--- /dev/null
+++ b/src/common/3d.cube.size2/evaluate-molecule.c
@@ -0,0 +1,8 @@
+    coeffs->coeff_0_0_0*data->data_0_0_0
+  + coeffs->coeff_p1_0_0*data->data_p1_0_0
+  + coeffs->coeff_0_p1_0*data->data_0_p1_0
+  + coeffs->coeff_p1_p1_0*data->data_p1_p1_0
+  + coeffs->coeff_0_0_p1*data->data_0_0_p1
+  + coeffs->coeff_p1_0_p1*data->data_p1_0_p1
+  + coeffs->coeff_0_p1_p1*data->data_0_p1_p1
+  + coeffs->coeff_p1_p1_p1*data->data_p1_p1_p1;
diff --git a/src/common/3d.cube.size2/load-data.c b/src/common/3d.cube.size2/load-data.c
new file mode 100644
index 0000000..7390485
--- /dev/null
+++ b/src/common/3d.cube.size2/load-data.c
@@ -0,0 +1,8 @@
+data->data_0_0_0 = DATA(0,0,0);
+data->data_p1_0_0 = DATA(1,0,0);
+data->data_0_p1_0 = DATA(0,1,0);
+data->data_p1_p1_0 = DATA(1,1,0);
+data->data_0_0_p1 = DATA(0,0,1);
+data->data_p1_0_p1 = DATA(1,0,1);
+data->data_0_p1_p1 = DATA(0,1,1);
+data->data_p1_p1_p1 = DATA(1,1,1);
diff --git a/src/common/3d.cube.size2/store-coeffs.c b/src/common/3d.cube.size2/store-coeffs.c
new file mode 100644
index 0000000..aa3d643
--- /dev/null
+++ b/src/common/3d.cube.size2/store-coeffs.c
@@ -0,0 +1,8 @@
+COEFF(0,0,0) = factor * coeffs->coeff_0_0_0;
+COEFF(1,0,0) = factor * coeffs->coeff_p1_0_0;
+COEFF(0,1,0) = factor * coeffs->coeff_0_p1_0;
+COEFF(1,1,0) = factor * coeffs->coeff_p1_p1_0;
+COEFF(0,0,1) = factor * coeffs->coeff_0_0_p1;
+COEFF(1,0,1) = factor * coeffs->coeff_p1_0_p1;
+COEFF(0,1,1) = factor * coeffs->coeff_0_p1_p1;
+COEFF(1,1,1) = factor * coeffs->coeff_p1_p1_p1;
diff --git a/src/common/3d.cube.size3/coeffs-dcl.h b/src/common/3d.cube.size3/coeffs-dcl.h
new file mode 100644
index 0000000..ea8a18a
--- /dev/null
+++ b/src/common/3d.cube.size3/coeffs-dcl.h
@@ -0,0 +1,27 @@
+fp coeff_m1_m1_m1;
+fp coeff_0_m1_m1;
+fp coeff_p1_m1_m1;
+fp coeff_m1_0_m1;
+fp coeff_0_0_m1;
+fp coeff_p1_0_m1;
+fp coeff_m1_p1_m1;
+fp coeff_0_p1_m1;
+fp coeff_p1_p1_m1;
+fp coeff_m1_m1_0;
+fp coeff_0_m1_0;
+fp coeff_p1_m1_0;
+fp coeff_m1_0_0;
+fp coeff_0_0_0;
+fp coeff_p1_0_0;
+fp coeff_m1_p1_0;
+fp coeff_0_p1_0;
+fp coeff_p1_p1_0;
+fp coeff_m1_m1_p1;
+fp coeff_0_m1_p1;
+fp coeff_p1_m1_p1;
+fp coeff_m1_0_p1;
+fp coeff_0_0_p1;
+fp coeff_p1_0_p1;
+fp coeff_m1_p1_p1;
+fp coeff_0_p1_p1;
+fp coeff_p1_p1_p1;
diff --git a/src/common/3d.cube.size3/data-dcl.h b/src/common/3d.cube.size3/data-dcl.h
new file mode 100644
index 0000000..09dd175
--- /dev/null
+++ b/src/common/3d.cube.size3/data-dcl.h
@@ -0,0 +1,27 @@
+fp data_m1_m1_m1;
+fp data_0_m1_m1;
+fp data_p1_m1_m1;
+fp data_m1_0_m1;
+fp data_0_0_m1;
+fp data_p1_0_m1;
+fp data_m1_p1_m1;
+fp data_0_p1_m1;
+fp data_p1_p1_m1;
+fp data_m1_m1_0;
+fp data_0_m1_0;
+fp data_p1_m1_0;
+fp data_m1_0_0;
+fp data_0_0_0;
+fp data_p1_0_0;
+fp data_m1_p1_0;
+fp data_0_p1_0;
+fp data_p1_p1_0;
+fp data_m1_m1_p1;
+fp data_0_m1_p1;
+fp data_p1_m1_p1;
+fp data_m1_0_p1;
+fp data_0_0_p1;
+fp data_p1_0_p1;
+fp data_m1_p1_p1;
+fp data_0_p1_p1;
+fp data_p1_p1_p1;
diff --git a/src/common/3d.cube.size3/evaluate-molecule.c b/src/common/3d.cube.size3/evaluate-molecule.c
new file mode 100644
index 0000000..9ed9280
--- /dev/null
+++ b/src/common/3d.cube.size3/evaluate-molecule.c
@@ -0,0 +1,27 @@
+    coeffs->coeff_m1_m1_m1*data->data_m1_m1_m1
+  + coeffs->coeff_0_m1_m1*data->data_0_m1_m1
+  + coeffs->coeff_p1_m1_m1*data->data_p1_m1_m1
+  + coeffs->coeff_m1_0_m1*data->data_m1_0_m1
+  + coeffs->coeff_0_0_m1*data->data_0_0_m1
+  + coeffs->coeff_p1_0_m1*data->data_p1_0_m1
+  + coeffs->coeff_m1_p1_m1*data->data_m1_p1_m1
+  + coeffs->coeff_0_p1_m1*data->data_0_p1_m1
+  + coeffs->coeff_p1_p1_m1*data->data_p1_p1_m1
+  + coeffs->coeff_m1_m1_0*data->data_m1_m1_0
+  + coeffs->coeff_0_m1_0*data->data_0_m1_0
+  + coeffs->coeff_p1_m1_0*data->data_p1_m1_0
+  + coeffs->coeff_m1_0_0*data->data_m1_0_0
+  + coeffs->coeff_0_0_0*data->data_0_0_0
+  + coeffs->coeff_p1_0_0*data->data_p1_0_0
+  + coeffs->coeff_m1_p1_0*data->data_m1_p1_0
+  + coeffs->coeff_0_p1_0*data->data_0_p1_0
+  + coeffs->coeff_p1_p1_0*data->data_p1_p1_0
+  + coeffs->coeff_m1_m1_p1*data->data_m1_m1_p1
+  + coeffs->coeff_0_m1_p1*data->data_0_m1_p1
+  + coeffs->coeff_p1_m1_p1*data->data_p1_m1_p1
+  + coeffs->coeff_m1_0_p1*data->data_m1_0_p1
+  + coeffs->coeff_0_0_p1*data->data_0_0_p1
+  + coeffs->coeff_p1_0_p1*data->data_p1_0_p1
+  + coeffs->coeff_m1_p1_p1*data->data_m1_p1_p1
+  + coeffs->coeff_0_p1_p1*data->data_0_p1_p1
+  + coeffs->coeff_p1_p1_p1*data->data_p1_p1_p1;
diff --git a/src/common/3d.cube.size3/load-data.c b/src/common/3d.cube.size3/load-data.c
new file mode 100644
index 0000000..5d22113
--- /dev/null
+++ b/src/common/3d.cube.size3/load-data.c
@@ -0,0 +1,27 @@
+data->data_m1_m1_m1 = DATA(-1,-1,-1);
+data->data_0_m1_m1 = DATA(0,-1,-1);
+data->data_p1_m1_m1 = DATA(1,-1,-1);
+data->data_m1_0_m1 = DATA(-1,0,-1);
+data->data_0_0_m1 = DATA(0,0,-1);
+data->data_p1_0_m1 = DATA(1,0,-1);
+data->data_m1_p1_m1 = DATA(-1,1,-1);
+data->data_0_p1_m1 = DATA(0,1,-1);
+data->data_p1_p1_m1 = DATA(1,1,-1);
+data->data_m1_m1_0 = DATA(-1,-1,0);
+data->data_0_m1_0 = DATA(0,-1,0);
+data->data_p1_m1_0 = DATA(1,-1,0);
+data->data_m1_0_0 = DATA(-1,0,0);
+data->data_0_0_0 = DATA(0,0,0);
+data->data_p1_0_0 = DATA(1,0,0);
+data->data_m1_p1_0 = DATA(-1,1,0);
+data->data_0_p1_0 = DATA(0,1,0);
+data->data_p1_p1_0 = DATA(1,1,0);
+data->data_m1_m1_p1 = DATA(-1,-1,1);
+data->data_0_m1_p1 = DATA(0,-1,1);
+data->data_p1_m1_p1 = DATA(1,-1,1);
+data->data_m1_0_p1 = DATA(-1,0,1);
+data->data_0_0_p1 = DATA(0,0,1);
+data->data_p1_0_p1 = DATA(1,0,1);
+data->data_m1_p1_p1 = DATA(-1,1,1);
+data->data_0_p1_p1 = DATA(0,1,1);
+data->data_p1_p1_p1 = DATA(1,1,1);
diff --git a/src/common/3d.cube.size3/store-coeffs.c b/src/common/3d.cube.size3/store-coeffs.c
new file mode 100644
index 0000000..992d1b8
--- /dev/null
+++ b/src/common/3d.cube.size3/store-coeffs.c
@@ -0,0 +1,27 @@
+COEFF(-1,-1,-1) = factor * coeffs->coeff_m1_m1_m1;
+COEFF(0,-1,-1) = factor * coeffs->coeff_0_m1_m1;
+COEFF(1,-1,-1) = factor * coeffs->coeff_p1_m1_m1;
+COEFF(-1,0,-1) = factor * coeffs->coeff_m1_0_m1;
+COEFF(0,0,-1) = factor * coeffs->coeff_0_0_m1;
+COEFF(1,0,-1) = factor * coeffs->coeff_p1_0_m1;
+COEFF(-1,1,-1) = factor * coeffs->coeff_m1_p1_m1;
+COEFF(0,1,-1) = factor * coeffs->coeff_0_p1_m1;
+COEFF(1,1,-1) = factor * coeffs->coeff_p1_p1_m1;
+COEFF(-1,-1,0) = factor * coeffs->coeff_m1_m1_0;
+COEFF(0,-1,0) = factor * coeffs->coeff_0_m1_0;
+COEFF(1,-1,0) = factor * coeffs->coeff_p1_m1_0;
+COEFF(-1,0,0) = factor * coeffs->coeff_m1_0_0;
+COEFF(0,0,0) = factor * coeffs->coeff_0_0_0;
+COEFF(1,0,0) = factor * coeffs->coeff_p1_0_0;
+COEFF(-1,1,0) = factor * coeffs->coeff_m1_p1_0;
+COEFF(0,1,0) = factor * coeffs->coeff_0_p1_0;
+COEFF(1,1,0) = factor * coeffs->coeff_p1_p1_0;
+COEFF(-1,-1,1) = factor * coeffs->coeff_m1_m1_p1;
+COEFF(0,-1,1) = factor * coeffs->coeff_0_m1_p1;
+COEFF(1,-1,1) = factor * coeffs->coeff_p1_m1_p1;
+COEFF(-1,0,1) = factor * coeffs->coeff_m1_0_p1;
+COEFF(0,0,1) = factor * coeffs->coeff_0_0_p1;
+COEFF(1,0,1) = factor * coeffs->coeff_p1_0_p1;
+COEFF(-1,1,1) = factor * coeffs->coeff_m1_p1_p1;
+COEFF(0,1,1) = factor * coeffs->coeff_0_p1_p1;
+COEFF(1,1,1) = factor * coeffs->coeff_p1_p1_p1;
diff --git a/src/common/3d.cube.size4/coeffs-dcl.h b/src/common/3d.cube.size4/coeffs-dcl.h
new file mode 100644
index 0000000..8c8d0bb
--- /dev/null
+++ b/src/common/3d.cube.size4/coeffs-dcl.h
@@ -0,0 +1,64 @@
+fp coeff_m1_m1_m1;
+fp coeff_0_m1_m1;
+fp coeff_p1_m1_m1;
+fp coeff_p2_m1_m1;
+fp coeff_m1_0_m1;
+fp coeff_0_0_m1;
+fp coeff_p1_0_m1;
+fp coeff_p2_0_m1;
+fp coeff_m1_p1_m1;
+fp coeff_0_p1_m1;
+fp coeff_p1_p1_m1;
+fp coeff_p2_p1_m1;
+fp coeff_m1_p2_m1;
+fp coeff_0_p2_m1;
+fp coeff_p1_p2_m1;
+fp coeff_p2_p2_m1;
+fp coeff_m1_m1_0;
+fp coeff_0_m1_0;
+fp coeff_p1_m1_0;
+fp coeff_p2_m1_0;
+fp coeff_m1_0_0;
+fp coeff_0_0_0;
+fp coeff_p1_0_0;
+fp coeff_p2_0_0;
+fp coeff_m1_p1_0;
+fp coeff_0_p1_0;
+fp coeff_p1_p1_0;
+fp coeff_p2_p1_0;
+fp coeff_m1_p2_0;
+fp coeff_0_p2_0;
+fp coeff_p1_p2_0;
+fp coeff_p2_p2_0;
+fp coeff_m1_m1_p1;
+fp coeff_0_m1_p1;
+fp coeff_p1_m1_p1;
+fp coeff_p2_m1_p1;
+fp coeff_m1_0_p1;
+fp coeff_0_0_p1;
+fp coeff_p1_0_p1;
+fp coeff_p2_0_p1;
+fp coeff_m1_p1_p1;
+fp coeff_0_p1_p1;
+fp coeff_p1_p1_p1;
+fp coeff_p2_p1_p1;
+fp coeff_m1_p2_p1;
+fp coeff_0_p2_p1;
+fp coeff_p1_p2_p1;
+fp coeff_p2_p2_p1;
+fp coeff_m1_m1_p2;
+fp coeff_0_m1_p2;
+fp coeff_p1_m1_p2;
+fp coeff_p2_m1_p2;
+fp coeff_m1_0_p2;
+fp coeff_0_0_p2;
+fp coeff_p1_0_p2;
+fp coeff_p2_0_p2;
+fp coeff_m1_p1_p2;
+fp coeff_0_p1_p2;
+fp coeff_p1_p1_p2;
+fp coeff_p2_p1_p2;
+fp coeff_m1_p2_p2;
+fp coeff_0_p2_p2;
+fp coeff_p1_p2_p2;
+fp coeff_p2_p2_p2;
diff --git a/src/common/3d.cube.size4/data-dcl.h b/src/common/3d.cube.size4/data-dcl.h
new file mode 100644
index 0000000..dada27a
--- /dev/null
+++ b/src/common/3d.cube.size4/data-dcl.h
@@ -0,0 +1,64 @@
+fp data_m1_m1_m1;
+fp data_0_m1_m1;
+fp data_p1_m1_m1;
+fp data_p2_m1_m1;
+fp data_m1_0_m1;
+fp data_0_0_m1;
+fp data_p1_0_m1;
+fp data_p2_0_m1;
+fp data_m1_p1_m1;
+fp data_0_p1_m1;
+fp data_p1_p1_m1;
+fp data_p2_p1_m1;
+fp data_m1_p2_m1;
+fp data_0_p2_m1;
+fp data_p1_p2_m1;
+fp data_p2_p2_m1;
+fp data_m1_m1_0;
+fp data_0_m1_0;
+fp data_p1_m1_0;
+fp data_p2_m1_0;
+fp data_m1_0_0;
+fp data_0_0_0;
+fp data_p1_0_0;
+fp data_p2_0_0;
+fp data_m1_p1_0;
+fp data_0_p1_0;
+fp data_p1_p1_0;
+fp data_p2_p1_0;
+fp data_m1_p2_0;
+fp data_0_p2_0;
+fp data_p1_p2_0;
+fp data_p2_p2_0;
+fp data_m1_m1_p1;
+fp data_0_m1_p1;
+fp data_p1_m1_p1;
+fp data_p2_m1_p1;
+fp data_m1_0_p1;
+fp data_0_0_p1;
+fp data_p1_0_p1;
+fp data_p2_0_p1;
+fp data_m1_p1_p1;
+fp data_0_p1_p1;
+fp data_p1_p1_p1;
+fp data_p2_p1_p1;
+fp data_m1_p2_p1;
+fp data_0_p2_p1;
+fp data_p1_p2_p1;
+fp data_p2_p2_p1;
+fp data_m1_m1_p2;
+fp data_0_m1_p2;
+fp data_p1_m1_p2;
+fp data_p2_m1_p2;
+fp data_m1_0_p2;
+fp data_0_0_p2;
+fp data_p1_0_p2;
+fp data_p2_0_p2;
+fp data_m1_p1_p2;
+fp data_0_p1_p2;
+fp data_p1_p1_p2;
+fp data_p2_p1_p2;
+fp data_m1_p2_p2;
+fp data_0_p2_p2;
+fp data_p1_p2_p2;
+fp data_p2_p2_p2;
diff --git a/src/common/3d.cube.size4/evaluate-molecule.c b/src/common/3d.cube.size4/evaluate-molecule.c
new file mode 100644
index 0000000..124a1b5
--- /dev/null
+++ b/src/common/3d.cube.size4/evaluate-molecule.c
@@ -0,0 +1,64 @@
+    coeffs->coeff_m1_m1_m1*data->data_m1_m1_m1
+  + coeffs->coeff_0_m1_m1*data->data_0_m1_m1
+  + coeffs->coeff_p1_m1_m1*data->data_p1_m1_m1
+  + coeffs->coeff_p2_m1_m1*data->data_p2_m1_m1
+  + coeffs->coeff_m1_0_m1*data->data_m1_0_m1
+  + coeffs->coeff_0_0_m1*data->data_0_0_m1
+  + coeffs->coeff_p1_0_m1*data->data_p1_0_m1
+  + coeffs->coeff_p2_0_m1*data->data_p2_0_m1
+  + coeffs->coeff_m1_p1_m1*data->data_m1_p1_m1
+  + coeffs->coeff_0_p1_m1*data->data_0_p1_m1
+  + coeffs->coeff_p1_p1_m1*data->data_p1_p1_m1
+  + coeffs->coeff_p2_p1_m1*data->data_p2_p1_m1
+  + coeffs->coeff_m1_p2_m1*data->data_m1_p2_m1
+  + coeffs->coeff_0_p2_m1*data->data_0_p2_m1
+  + coeffs->coeff_p1_p2_m1*data->data_p1_p2_m1
+  + coeffs->coeff_p2_p2_m1*data->data_p2_p2_m1
+  + coeffs->coeff_m1_m1_0*data->data_m1_m1_0
+  + coeffs->coeff_0_m1_0*data->data_0_m1_0
+  + coeffs->coeff_p1_m1_0*data->data_p1_m1_0
+  + coeffs->coeff_p2_m1_0*data->data_p2_m1_0
+  + coeffs->coeff_m1_0_0*data->data_m1_0_0
+  + coeffs->coeff_0_0_0*data->data_0_0_0
+  + coeffs->coeff_p1_0_0*data->data_p1_0_0
+  + coeffs->coeff_p2_0_0*data->data_p2_0_0
+  + coeffs->coeff_m1_p1_0*data->data_m1_p1_0
+  + coeffs->coeff_0_p1_0*data->data_0_p1_0
+  + coeffs->coeff_p1_p1_0*data->data_p1_p1_0
+  + coeffs->coeff_p2_p1_0*data->data_p2_p1_0
+  + coeffs->coeff_m1_p2_0*data->data_m1_p2_0
+  + coeffs->coeff_0_p2_0*data->data_0_p2_0
+  + coeffs->coeff_p1_p2_0*data->data_p1_p2_0
+  + coeffs->coeff_p2_p2_0*data->data_p2_p2_0
+  + coeffs->coeff_m1_m1_p1*data->data_m1_m1_p1
+  + coeffs->coeff_0_m1_p1*data->data_0_m1_p1
+  + coeffs->coeff_p1_m1_p1*data->data_p1_m1_p1
+  + coeffs->coeff_p2_m1_p1*data->data_p2_m1_p1
+  + coeffs->coeff_m1_0_p1*data->data_m1_0_p1
+  + coeffs->coeff_0_0_p1*data->data_0_0_p1
+  + coeffs->coeff_p1_0_p1*data->data_p1_0_p1
+  + coeffs->coeff_p2_0_p1*data->data_p2_0_p1
+  + coeffs->coeff_m1_p1_p1*data->data_m1_p1_p1
+  + coeffs->coeff_0_p1_p1*data->data_0_p1_p1
+  + coeffs->coeff_p1_p1_p1*data->data_p1_p1_p1
+  + coeffs->coeff_p2_p1_p1*data->data_p2_p1_p1
+  + coeffs->coeff_m1_p2_p1*data->data_m1_p2_p1
+  + coeffs->coeff_0_p2_p1*data->data_0_p2_p1
+  + coeffs->coeff_p1_p2_p1*data->data_p1_p2_p1
+  + coeffs->coeff_p2_p2_p1*data->data_p2_p2_p1
+  + coeffs->coeff_m1_m1_p2*data->data_m1_m1_p2
+  + coeffs->coeff_0_m1_p2*data->data_0_m1_p2
+  + coeffs->coeff_p1_m1_p2*data->data_p1_m1_p2
+  + coeffs->coeff_p2_m1_p2*data->data_p2_m1_p2
+  + coeffs->coeff_m1_0_p2*data->data_m1_0_p2
+  + coeffs->coeff_0_0_p2*data->data_0_0_p2
+  + coeffs->coeff_p1_0_p2*data->data_p1_0_p2
+  + coeffs->coeff_p2_0_p2*data->data_p2_0_p2
+  + coeffs->coeff_m1_p1_p2*data->data_m1_p1_p2
+  + coeffs->coeff_0_p1_p2*data->data_0_p1_p2
+  + coeffs->coeff_p1_p1_p2*data->data_p1_p1_p2
+  + coeffs->coeff_p2_p1_p2*data->data_p2_p1_p2
+  + coeffs->coeff_m1_p2_p2*data->data_m1_p2_p2
+  + coeffs->coeff_0_p2_p2*data->data_0_p2_p2
+  + coeffs->coeff_p1_p2_p2*data->data_p1_p2_p2
+  + coeffs->coeff_p2_p2_p2*data->data_p2_p2_p2;
diff --git a/src/common/3d.cube.size4/load-data.c b/src/common/3d.cube.size4/load-data.c
new file mode 100644
index 0000000..b520c48
--- /dev/null
+++ b/src/common/3d.cube.size4/load-data.c
@@ -0,0 +1,64 @@
+data->data_m1_m1_m1 = DATA(-1,-1,-1);
+data->data_0_m1_m1 = DATA(0,-1,-1);
+data->data_p1_m1_m1 = DATA(1,-1,-1);
+data->data_p2_m1_m1 = DATA(2,-1,-1);
+data->data_m1_0_m1 = DATA(-1,0,-1);
+data->data_0_0_m1 = DATA(0,0,-1);
+data->data_p1_0_m1 = DATA(1,0,-1);
+data->data_p2_0_m1 = DATA(2,0,-1);
+data->data_m1_p1_m1 = DATA(-1,1,-1);
+data->data_0_p1_m1 = DATA(0,1,-1);
+data->data_p1_p1_m1 = DATA(1,1,-1);
+data->data_p2_p1_m1 = DATA(2,1,-1);
+data->data_m1_p2_m1 = DATA(-1,2,-1);
+data->data_0_p2_m1 = DATA(0,2,-1);
+data->data_p1_p2_m1 = DATA(1,2,-1);
+data->data_p2_p2_m1 = DATA(2,2,-1);
+data->data_m1_m1_0 = DATA(-1,-1,0);
+data->data_0_m1_0 = DATA(0,-1,0);
+data->data_p1_m1_0 = DATA(1,-1,0);
+data->data_p2_m1_0 = DATA(2,-1,0);
+data->data_m1_0_0 = DATA(-1,0,0);
+data->data_0_0_0 = DATA(0,0,0);
+data->data_p1_0_0 = DATA(1,0,0);
+data->data_p2_0_0 = DATA(2,0,0);
+data->data_m1_p1_0 = DATA(-1,1,0);
+data->data_0_p1_0 = DATA(0,1,0);
+data->data_p1_p1_0 = DATA(1,1,0);
+data->data_p2_p1_0 = DATA(2,1,0);
+data->data_m1_p2_0 = DATA(-1,2,0);
+data->data_0_p2_0 = DATA(0,2,0);
+data->data_p1_p2_0 = DATA(1,2,0);
+data->data_p2_p2_0 = DATA(2,2,0);
+data->data_m1_m1_p1 = DATA(-1,-1,1);
+data->data_0_m1_p1 = DATA(0,-1,1);
+data->data_p1_m1_p1 = DATA(1,-1,1);
+data->data_p2_m1_p1 = DATA(2,-1,1);
+data->data_m1_0_p1 = DATA(-1,0,1);
+data->data_0_0_p1 = DATA(0,0,1);
+data->data_p1_0_p1 = DATA(1,0,1);
+data->data_p2_0_p1 = DATA(2,0,1);
+data->data_m1_p1_p1 = DATA(-1,1,1);
+data->data_0_p1_p1 = DATA(0,1,1);
+data->data_p1_p1_p1 = DATA(1,1,1);
+data->data_p2_p1_p1 = DATA(2,1,1);
+data->data_m1_p2_p1 = DATA(-1,2,1);
+data->data_0_p2_p1 = DATA(0,2,1);
+data->data_p1_p2_p1 = DATA(1,2,1);
+data->data_p2_p2_p1 = DATA(2,2,1);
+data->data_m1_m1_p2 = DATA(-1,-1,2);
+data->data_0_m1_p2 = DATA(0,-1,2);
+data->data_p1_m1_p2 = DATA(1,-1,2);
+data->data_p2_m1_p2 = DATA(2,-1,2);
+data->data_m1_0_p2 = DATA(-1,0,2);
+data->data_0_0_p2 = DATA(0,0,2);
+data->data_p1_0_p2 = DATA(1,0,2);
+data->data_p2_0_p2 = DATA(2,0,2);
+data->data_m1_p1_p2 = DATA(-1,1,2);
+data->data_0_p1_p2 = DATA(0,1,2);
+data->data_p1_p1_p2 = DATA(1,1,2);
+data->data_p2_p1_p2 = DATA(2,1,2);
+data->data_m1_p2_p2 = DATA(-1,2,2);
+data->data_0_p2_p2 = DATA(0,2,2);
+data->data_p1_p2_p2 = DATA(1,2,2);
+data->data_p2_p2_p2 = DATA(2,2,2);
diff --git a/src/common/3d.cube.size4/store-coeffs.c b/src/common/3d.cube.size4/store-coeffs.c
new file mode 100644
index 0000000..9f06dff
--- /dev/null
+++ b/src/common/3d.cube.size4/store-coeffs.c
@@ -0,0 +1,64 @@
+COEFF(-1,-1,-1) = factor * coeffs->coeff_m1_m1_m1;
+COEFF(0,-1,-1) = factor * coeffs->coeff_0_m1_m1;
+COEFF(1,-1,-1) = factor * coeffs->coeff_p1_m1_m1;
+COEFF(2,-1,-1) = factor * coeffs->coeff_p2_m1_m1;
+COEFF(-1,0,-1) = factor * coeffs->coeff_m1_0_m1;
+COEFF(0,0,-1) = factor * coeffs->coeff_0_0_m1;
+COEFF(1,0,-1) = factor * coeffs->coeff_p1_0_m1;
+COEFF(2,0,-1) = factor * coeffs->coeff_p2_0_m1;
+COEFF(-1,1,-1) = factor * coeffs->coeff_m1_p1_m1;
+COEFF(0,1,-1) = factor * coeffs->coeff_0_p1_m1;
+COEFF(1,1,-1) = factor * coeffs->coeff_p1_p1_m1;
+COEFF(2,1,-1) = factor * coeffs->coeff_p2_p1_m1;
+COEFF(-1,2,-1) = factor * coeffs->coeff_m1_p2_m1;
+COEFF(0,2,-1) = factor * coeffs->coeff_0_p2_m1;
+COEFF(1,2,-1) = factor * coeffs->coeff_p1_p2_m1;
+COEFF(2,2,-1) = factor * coeffs->coeff_p2_p2_m1;
+COEFF(-1,-1,0) = factor * coeffs->coeff_m1_m1_0;
+COEFF(0,-1,0) = factor * coeffs->coeff_0_m1_0;
+COEFF(1,-1,0) = factor * coeffs->coeff_p1_m1_0;
+COEFF(2,-1,0) = factor * coeffs->coeff_p2_m1_0;
+COEFF(-1,0,0) = factor * coeffs->coeff_m1_0_0;
+COEFF(0,0,0) = factor * coeffs->coeff_0_0_0;
+COEFF(1,0,0) = factor * coeffs->coeff_p1_0_0;
+COEFF(2,0,0) = factor * coeffs->coeff_p2_0_0;
+COEFF(-1,1,0) = factor * coeffs->coeff_m1_p1_0;
+COEFF(0,1,0) = factor * coeffs->coeff_0_p1_0;
+COEFF(1,1,0) = factor * coeffs->coeff_p1_p1_0;
+COEFF(2,1,0) = factor * coeffs->coeff_p2_p1_0;
+COEFF(-1,2,0) = factor * coeffs->coeff_m1_p2_0;
+COEFF(0,2,0) = factor * coeffs->coeff_0_p2_0;
+COEFF(1,2,0) = factor * coeffs->coeff_p1_p2_0;
+COEFF(2,2,0) = factor * coeffs->coeff_p2_p2_0;
+COEFF(-1,-1,1) = factor * coeffs->coeff_m1_m1_p1;
+COEFF(0,-1,1) = factor * coeffs->coeff_0_m1_p1;
+COEFF(1,-1,1) = factor * coeffs->coeff_p1_m1_p1;
+COEFF(2,-1,1) = factor * coeffs->coeff_p2_m1_p1;
+COEFF(-1,0,1) = factor * coeffs->coeff_m1_0_p1;
+COEFF(0,0,1) = factor * coeffs->coeff_0_0_p1;
+COEFF(1,0,1) = factor * coeffs->coeff_p1_0_p1;
+COEFF(2,0,1) = factor * coeffs->coeff_p2_0_p1;
+COEFF(-1,1,1) = factor * coeffs->coeff_m1_p1_p1;
+COEFF(0,1,1) = factor * coeffs->coeff_0_p1_p1;
+COEFF(1,1,1) = factor * coeffs->coeff_p1_p1_p1;
+COEFF(2,1,1) = factor * coeffs->coeff_p2_p1_p1;
+COEFF(-1,2,1) = factor * coeffs->coeff_m1_p2_p1;
+COEFF(0,2,1) = factor * coeffs->coeff_0_p2_p1;
+COEFF(1,2,1) = factor * coeffs->coeff_p1_p2_p1;
+COEFF(2,2,1) = factor * coeffs->coeff_p2_p2_p1;
+COEFF(-1,-1,2) = factor * coeffs->coeff_m1_m1_p2;
+COEFF(0,-1,2) = factor * coeffs->coeff_0_m1_p2;
+COEFF(1,-1,2) = factor * coeffs->coeff_p1_m1_p2;
+COEFF(2,-1,2) = factor * coeffs->coeff_p2_m1_p2;
+COEFF(-1,0,2) = factor * coeffs->coeff_m1_0_p2;
+COEFF(0,0,2) = factor * coeffs->coeff_0_0_p2;
+COEFF(1,0,2) = factor * coeffs->coeff_p1_0_p2;
+COEFF(2,0,2) = factor * coeffs->coeff_p2_0_p2;
+COEFF(-1,1,2) = factor * coeffs->coeff_m1_p1_p2;
+COEFF(0,1,2) = factor * coeffs->coeff_0_p1_p2;
+COEFF(1,1,2) = factor * coeffs->coeff_p1_p1_p2;
+COEFF(2,1,2) = factor * coeffs->coeff_p2_p1_p2;
+COEFF(-1,2,2) = factor * coeffs->coeff_m1_p2_p2;
+COEFF(0,2,2) = factor * coeffs->coeff_0_p2_p2;
+COEFF(1,2,2) = factor * coeffs->coeff_p1_p2_p2;
+COEFF(2,2,2) = factor * coeffs->coeff_p2_p2_p2;
diff --git a/src/common/3d.cube.size5/coeffs-dcl.h b/src/common/3d.cube.size5/coeffs-dcl.h
new file mode 100644
index 0000000..94fdc84
--- /dev/null
+++ b/src/common/3d.cube.size5/coeffs-dcl.h
@@ -0,0 +1,125 @@
+fp coeff_m2_m2_m2;
+fp coeff_m1_m2_m2;
+fp coeff_0_m2_m2;
+fp coeff_p1_m2_m2;
+fp coeff_p2_m2_m2;
+fp coeff_m2_m1_m2;
+fp coeff_m1_m1_m2;
+fp coeff_0_m1_m2;
+fp coeff_p1_m1_m2;
+fp coeff_p2_m1_m2;
+fp coeff_m2_0_m2;
+fp coeff_m1_0_m2;
+fp coeff_0_0_m2;
+fp coeff_p1_0_m2;
+fp coeff_p2_0_m2;
+fp coeff_m2_p1_m2;
+fp coeff_m1_p1_m2;
+fp coeff_0_p1_m2;
+fp coeff_p1_p1_m2;
+fp coeff_p2_p1_m2;
+fp coeff_m2_p2_m2;
+fp coeff_m1_p2_m2;
+fp coeff_0_p2_m2;
+fp coeff_p1_p2_m2;
+fp coeff_p2_p2_m2;
+fp coeff_m2_m2_m1;
+fp coeff_m1_m2_m1;
+fp coeff_0_m2_m1;
+fp coeff_p1_m2_m1;
+fp coeff_p2_m2_m1;
+fp coeff_m2_m1_m1;
+fp coeff_m1_m1_m1;
+fp coeff_0_m1_m1;
+fp coeff_p1_m1_m1;
+fp coeff_p2_m1_m1;
+fp coeff_m2_0_m1;
+fp coeff_m1_0_m1;
+fp coeff_0_0_m1;
+fp coeff_p1_0_m1;
+fp coeff_p2_0_m1;
+fp coeff_m2_p1_m1;
+fp coeff_m1_p1_m1;
+fp coeff_0_p1_m1;
+fp coeff_p1_p1_m1;
+fp coeff_p2_p1_m1;
+fp coeff_m2_p2_m1;
+fp coeff_m1_p2_m1;
+fp coeff_0_p2_m1;
+fp coeff_p1_p2_m1;
+fp coeff_p2_p2_m1;
+fp coeff_m2_m2_0;
+fp coeff_m1_m2_0;
+fp coeff_0_m2_0;
+fp coeff_p1_m2_0;
+fp coeff_p2_m2_0;
+fp coeff_m2_m1_0;
+fp coeff_m1_m1_0;
+fp coeff_0_m1_0;
+fp coeff_p1_m1_0;
+fp coeff_p2_m1_0;
+fp coeff_m2_0_0;
+fp coeff_m1_0_0;
+fp coeff_0_0_0;
+fp coeff_p1_0_0;
+fp coeff_p2_0_0;
+fp coeff_m2_p1_0;
+fp coeff_m1_p1_0;
+fp coeff_0_p1_0;
+fp coeff_p1_p1_0;
+fp coeff_p2_p1_0;
+fp coeff_m2_p2_0;
+fp coeff_m1_p2_0;
+fp coeff_0_p2_0;
+fp coeff_p1_p2_0;
+fp coeff_p2_p2_0;
+fp coeff_m2_m2_p1;
+fp coeff_m1_m2_p1;
+fp coeff_0_m2_p1;
+fp coeff_p1_m2_p1;
+fp coeff_p2_m2_p1;
+fp coeff_m2_m1_p1;
+fp coeff_m1_m1_p1;
+fp coeff_0_m1_p1;
+fp coeff_p1_m1_p1;
+fp coeff_p2_m1_p1;
+fp coeff_m2_0_p1;
+fp coeff_m1_0_p1;
+fp coeff_0_0_p1;
+fp coeff_p1_0_p1;
+fp coeff_p2_0_p1;
+fp coeff_m2_p1_p1;
+fp coeff_m1_p1_p1;
+fp coeff_0_p1_p1;
+fp coeff_p1_p1_p1;
+fp coeff_p2_p1_p1;
+fp coeff_m2_p2_p1;
+fp coeff_m1_p2_p1;
+fp coeff_0_p2_p1;
+fp coeff_p1_p2_p1;
+fp coeff_p2_p2_p1;
+fp coeff_m2_m2_p2;
+fp coeff_m1_m2_p2;
+fp coeff_0_m2_p2;
+fp coeff_p1_m2_p2;
+fp coeff_p2_m2_p2;
+fp coeff_m2_m1_p2;
+fp coeff_m1_m1_p2;
+fp coeff_0_m1_p2;
+fp coeff_p1_m1_p2;
+fp coeff_p2_m1_p2;
+fp coeff_m2_0_p2;
+fp coeff_m1_0_p2;
+fp coeff_0_0_p2;
+fp coeff_p1_0_p2;
+fp coeff_p2_0_p2;
+fp coeff_m2_p1_p2;
+fp coeff_m1_p1_p2;
+fp coeff_0_p1_p2;
+fp coeff_p1_p1_p2;
+fp coeff_p2_p1_p2;
+fp coeff_m2_p2_p2;
+fp coeff_m1_p2_p2;
+fp coeff_0_p2_p2;
+fp coeff_p1_p2_p2;
+fp coeff_p2_p2_p2;
diff --git a/src/common/3d.cube.size5/data-dcl.h b/src/common/3d.cube.size5/data-dcl.h
new file mode 100644
index 0000000..f47ae87
--- /dev/null
+++ b/src/common/3d.cube.size5/data-dcl.h
@@ -0,0 +1,125 @@
+fp data_m2_m2_m2;
+fp data_m1_m2_m2;
+fp data_0_m2_m2;
+fp data_p1_m2_m2;
+fp data_p2_m2_m2;
+fp data_m2_m1_m2;
+fp data_m1_m1_m2;
+fp data_0_m1_m2;
+fp data_p1_m1_m2;
+fp data_p2_m1_m2;
+fp data_m2_0_m2;
+fp data_m1_0_m2;
+fp data_0_0_m2;
+fp data_p1_0_m2;
+fp data_p2_0_m2;
+fp data_m2_p1_m2;
+fp data_m1_p1_m2;
+fp data_0_p1_m2;
+fp data_p1_p1_m2;
+fp data_p2_p1_m2;
+fp data_m2_p2_m2;
+fp data_m1_p2_m2;
+fp data_0_p2_m2;
+fp data_p1_p2_m2;
+fp data_p2_p2_m2;
+fp data_m2_m2_m1;
+fp data_m1_m2_m1;
+fp data_0_m2_m1;
+fp data_p1_m2_m1;
+fp data_p2_m2_m1;
+fp data_m2_m1_m1;
+fp data_m1_m1_m1;
+fp data_0_m1_m1;
+fp data_p1_m1_m1;
+fp data_p2_m1_m1;
+fp data_m2_0_m1;
+fp data_m1_0_m1;
+fp data_0_0_m1;
+fp data_p1_0_m1;
+fp data_p2_0_m1;
+fp data_m2_p1_m1;
+fp data_m1_p1_m1;
+fp data_0_p1_m1;
+fp data_p1_p1_m1;
+fp data_p2_p1_m1;
+fp data_m2_p2_m1;
+fp data_m1_p2_m1;
+fp data_0_p2_m1;
+fp data_p1_p2_m1;
+fp data_p2_p2_m1;
+fp data_m2_m2_0;
+fp data_m1_m2_0;
+fp data_0_m2_0;
+fp data_p1_m2_0;
+fp data_p2_m2_0;
+fp data_m2_m1_0;
+fp data_m1_m1_0;
+fp data_0_m1_0;
+fp data_p1_m1_0;
+fp data_p2_m1_0;
+fp data_m2_0_0;
+fp data_m1_0_0;
+fp data_0_0_0;
+fp data_p1_0_0;
+fp data_p2_0_0;
+fp data_m2_p1_0;
+fp data_m1_p1_0;
+fp data_0_p1_0;
+fp data_p1_p1_0;
+fp data_p2_p1_0;
+fp data_m2_p2_0;
+fp data_m1_p2_0;
+fp data_0_p2_0;
+fp data_p1_p2_0;
+fp data_p2_p2_0;
+fp data_m2_m2_p1;
+fp data_m1_m2_p1;
+fp data_0_m2_p1;
+fp data_p1_m2_p1;
+fp data_p2_m2_p1;
+fp data_m2_m1_p1;
+fp data_m1_m1_p1;
+fp data_0_m1_p1;
+fp data_p1_m1_p1;
+fp data_p2_m1_p1;
+fp data_m2_0_p1;
+fp data_m1_0_p1;
+fp data_0_0_p1;
+fp data_p1_0_p1;
+fp data_p2_0_p1;
+fp data_m2_p1_p1;
+fp data_m1_p1_p1;
+fp data_0_p1_p1;
+fp data_p1_p1_p1;
+fp data_p2_p1_p1;
+fp data_m2_p2_p1;
+fp data_m1_p2_p1;
+fp data_0_p2_p1;
+fp data_p1_p2_p1;
+fp data_p2_p2_p1;
+fp data_m2_m2_p2;
+fp data_m1_m2_p2;
+fp data_0_m2_p2;
+fp data_p1_m2_p2;
+fp data_p2_m2_p2;
+fp data_m2_m1_p2;
+fp data_m1_m1_p2;
+fp data_0_m1_p2;
+fp data_p1_m1_p2;
+fp data_p2_m1_p2;
+fp data_m2_0_p2;
+fp data_m1_0_p2;
+fp data_0_0_p2;
+fp data_p1_0_p2;
+fp data_p2_0_p2;
+fp data_m2_p1_p2;
+fp data_m1_p1_p2;
+fp data_0_p1_p2;
+fp data_p1_p1_p2;
+fp data_p2_p1_p2;
+fp data_m2_p2_p2;
+fp data_m1_p2_p2;
+fp data_0_p2_p2;
+fp data_p1_p2_p2;
+fp data_p2_p2_p2;
diff --git a/src/common/3d.cube.size5/evaluate-molecule.c b/src/common/3d.cube.size5/evaluate-molecule.c
new file mode 100644
index 0000000..ec124a3
--- /dev/null
+++ b/src/common/3d.cube.size5/evaluate-molecule.c
@@ -0,0 +1,125 @@
+    coeffs->coeff_m2_m2_m2*data->data_m2_m2_m2
+  + coeffs->coeff_m1_m2_m2*data->data_m1_m2_m2
+  + coeffs->coeff_0_m2_m2*data->data_0_m2_m2
+  + coeffs->coeff_p1_m2_m2*data->data_p1_m2_m2
+  + coeffs->coeff_p2_m2_m2*data->data_p2_m2_m2
+  + coeffs->coeff_m2_m1_m2*data->data_m2_m1_m2
+  + coeffs->coeff_m1_m1_m2*data->data_m1_m1_m2
+  + coeffs->coeff_0_m1_m2*data->data_0_m1_m2
+  + coeffs->coeff_p1_m1_m2*data->data_p1_m1_m2
+  + coeffs->coeff_p2_m1_m2*data->data_p2_m1_m2
+  + coeffs->coeff_m2_0_m2*data->data_m2_0_m2
+  + coeffs->coeff_m1_0_m2*data->data_m1_0_m2
+  + coeffs->coeff_0_0_m2*data->data_0_0_m2
+  + coeffs->coeff_p1_0_m2*data->data_p1_0_m2
+  + coeffs->coeff_p2_0_m2*data->data_p2_0_m2
+  + coeffs->coeff_m2_p1_m2*data->data_m2_p1_m2
+  + coeffs->coeff_m1_p1_m2*data->data_m1_p1_m2
+  + coeffs->coeff_0_p1_m2*data->data_0_p1_m2
+  + coeffs->coeff_p1_p1_m2*data->data_p1_p1_m2
+  + coeffs->coeff_p2_p1_m2*data->data_p2_p1_m2
+  + coeffs->coeff_m2_p2_m2*data->data_m2_p2_m2
+  + coeffs->coeff_m1_p2_m2*data->data_m1_p2_m2
+  + coeffs->coeff_0_p2_m2*data->data_0_p2_m2
+  + coeffs->coeff_p1_p2_m2*data->data_p1_p2_m2
+  + coeffs->coeff_p2_p2_m2*data->data_p2_p2_m2
+  + coeffs->coeff_m2_m2_m1*data->data_m2_m2_m1
+  + coeffs->coeff_m1_m2_m1*data->data_m1_m2_m1
+  + coeffs->coeff_0_m2_m1*data->data_0_m2_m1
+  + coeffs->coeff_p1_m2_m1*data->data_p1_m2_m1
+  + coeffs->coeff_p2_m2_m1*data->data_p2_m2_m1
+  + coeffs->coeff_m2_m1_m1*data->data_m2_m1_m1
+  + coeffs->coeff_m1_m1_m1*data->data_m1_m1_m1
+  + coeffs->coeff_0_m1_m1*data->data_0_m1_m1
+  + coeffs->coeff_p1_m1_m1*data->data_p1_m1_m1
+  + coeffs->coeff_p2_m1_m1*data->data_p2_m1_m1
+  + coeffs->coeff_m2_0_m1*data->data_m2_0_m1
+  + coeffs->coeff_m1_0_m1*data->data_m1_0_m1
+  + coeffs->coeff_0_0_m1*data->data_0_0_m1
+  + coeffs->coeff_p1_0_m1*data->data_p1_0_m1
+  + coeffs->coeff_p2_0_m1*data->data_p2_0_m1
+  + coeffs->coeff_m2_p1_m1*data->data_m2_p1_m1
+  + coeffs->coeff_m1_p1_m1*data->data_m1_p1_m1
+  + coeffs->coeff_0_p1_m1*data->data_0_p1_m1
+  + coeffs->coeff_p1_p1_m1*data->data_p1_p1_m1
+  + coeffs->coeff_p2_p1_m1*data->data_p2_p1_m1
+  + coeffs->coeff_m2_p2_m1*data->data_m2_p2_m1
+  + coeffs->coeff_m1_p2_m1*data->data_m1_p2_m1
+  + coeffs->coeff_0_p2_m1*data->data_0_p2_m1
+  + coeffs->coeff_p1_p2_m1*data->data_p1_p2_m1
+  + coeffs->coeff_p2_p2_m1*data->data_p2_p2_m1
+  + coeffs->coeff_m2_m2_0*data->data_m2_m2_0
+  + coeffs->coeff_m1_m2_0*data->data_m1_m2_0
+  + coeffs->coeff_0_m2_0*data->data_0_m2_0
+  + coeffs->coeff_p1_m2_0*data->data_p1_m2_0
+  + coeffs->coeff_p2_m2_0*data->data_p2_m2_0
+  + coeffs->coeff_m2_m1_0*data->data_m2_m1_0
+  + coeffs->coeff_m1_m1_0*data->data_m1_m1_0
+  + coeffs->coeff_0_m1_0*data->data_0_m1_0
+  + coeffs->coeff_p1_m1_0*data->data_p1_m1_0
+  + coeffs->coeff_p2_m1_0*data->data_p2_m1_0
+  + coeffs->coeff_m2_0_0*data->data_m2_0_0
+  + coeffs->coeff_m1_0_0*data->data_m1_0_0
+  + coeffs->coeff_0_0_0*data->data_0_0_0
+  + coeffs->coeff_p1_0_0*data->data_p1_0_0
+  + coeffs->coeff_p2_0_0*data->data_p2_0_0
+  + coeffs->coeff_m2_p1_0*data->data_m2_p1_0
+  + coeffs->coeff_m1_p1_0*data->data_m1_p1_0
+  + coeffs->coeff_0_p1_0*data->data_0_p1_0
+  + coeffs->coeff_p1_p1_0*data->data_p1_p1_0
+  + coeffs->coeff_p2_p1_0*data->data_p2_p1_0
+  + coeffs->coeff_m2_p2_0*data->data_m2_p2_0
+  + coeffs->coeff_m1_p2_0*data->data_m1_p2_0
+  + coeffs->coeff_0_p2_0*data->data_0_p2_0
+  + coeffs->coeff_p1_p2_0*data->data_p1_p2_0
+  + coeffs->coeff_p2_p2_0*data->data_p2_p2_0
+  + coeffs->coeff_m2_m2_p1*data->data_m2_m2_p1
+  + coeffs->coeff_m1_m2_p1*data->data_m1_m2_p1
+  + coeffs->coeff_0_m2_p1*data->data_0_m2_p1
+  + coeffs->coeff_p1_m2_p1*data->data_p1_m2_p1
+  + coeffs->coeff_p2_m2_p1*data->data_p2_m2_p1
+  + coeffs->coeff_m2_m1_p1*data->data_m2_m1_p1
+  + coeffs->coeff_m1_m1_p1*data->data_m1_m1_p1
+  + coeffs->coeff_0_m1_p1*data->data_0_m1_p1
+  + coeffs->coeff_p1_m1_p1*data->data_p1_m1_p1
+  + coeffs->coeff_p2_m1_p1*data->data_p2_m1_p1
+  + coeffs->coeff_m2_0_p1*data->data_m2_0_p1
+  + coeffs->coeff_m1_0_p1*data->data_m1_0_p1
+  + coeffs->coeff_0_0_p1*data->data_0_0_p1
+  + coeffs->coeff_p1_0_p1*data->data_p1_0_p1
+  + coeffs->coeff_p2_0_p1*data->data_p2_0_p1
+  + coeffs->coeff_m2_p1_p1*data->data_m2_p1_p1
+  + coeffs->coeff_m1_p1_p1*data->data_m1_p1_p1
+  + coeffs->coeff_0_p1_p1*data->data_0_p1_p1
+  + coeffs->coeff_p1_p1_p1*data->data_p1_p1_p1
+  + coeffs->coeff_p2_p1_p1*data->data_p2_p1_p1
+  + coeffs->coeff_m2_p2_p1*data->data_m2_p2_p1
+  + coeffs->coeff_m1_p2_p1*data->data_m1_p2_p1
+  + coeffs->coeff_0_p2_p1*data->data_0_p2_p1
+  + coeffs->coeff_p1_p2_p1*data->data_p1_p2_p1
+  + coeffs->coeff_p2_p2_p1*data->data_p2_p2_p1
+  + coeffs->coeff_m2_m2_p2*data->data_m2_m2_p2
+  + coeffs->coeff_m1_m2_p2*data->data_m1_m2_p2
+  + coeffs->coeff_0_m2_p2*data->data_0_m2_p2
+  + coeffs->coeff_p1_m2_p2*data->data_p1_m2_p2
+  + coeffs->coeff_p2_m2_p2*data->data_p2_m2_p2
+  + coeffs->coeff_m2_m1_p2*data->data_m2_m1_p2
+  + coeffs->coeff_m1_m1_p2*data->data_m1_m1_p2
+  + coeffs->coeff_0_m1_p2*data->data_0_m1_p2
+  + coeffs->coeff_p1_m1_p2*data->data_p1_m1_p2
+  + coeffs->coeff_p2_m1_p2*data->data_p2_m1_p2
+  + coeffs->coeff_m2_0_p2*data->data_m2_0_p2
+  + coeffs->coeff_m1_0_p2*data->data_m1_0_p2
+  + coeffs->coeff_0_0_p2*data->data_0_0_p2
+  + coeffs->coeff_p1_0_p2*data->data_p1_0_p2
+  + coeffs->coeff_p2_0_p2*data->data_p2_0_p2
+  + coeffs->coeff_m2_p1_p2*data->data_m2_p1_p2
+  + coeffs->coeff_m1_p1_p2*data->data_m1_p1_p2
+  + coeffs->coeff_0_p1_p2*data->data_0_p1_p2
+  + coeffs->coeff_p1_p1_p2*data->data_p1_p1_p2
+  + coeffs->coeff_p2_p1_p2*data->data_p2_p1_p2
+  + coeffs->coeff_m2_p2_p2*data->data_m2_p2_p2
+  + coeffs->coeff_m1_p2_p2*data->data_m1_p2_p2
+  + coeffs->coeff_0_p2_p2*data->data_0_p2_p2
+  + coeffs->coeff_p1_p2_p2*data->data_p1_p2_p2
+  + coeffs->coeff_p2_p2_p2*data->data_p2_p2_p2;
diff --git a/src/common/3d.cube.size5/load-data.c b/src/common/3d.cube.size5/load-data.c
new file mode 100644
index 0000000..386ac90
--- /dev/null
+++ b/src/common/3d.cube.size5/load-data.c
@@ -0,0 +1,125 @@
+data->data_m2_m2_m2 = DATA(-2,-2,-2);
+data->data_m1_m2_m2 = DATA(-1,-2,-2);
+data->data_0_m2_m2 = DATA(0,-2,-2);
+data->data_p1_m2_m2 = DATA(1,-2,-2);
+data->data_p2_m2_m2 = DATA(2,-2,-2);
+data->data_m2_m1_m2 = DATA(-2,-1,-2);
+data->data_m1_m1_m2 = DATA(-1,-1,-2);
+data->data_0_m1_m2 = DATA(0,-1,-2);
+data->data_p1_m1_m2 = DATA(1,-1,-2);
+data->data_p2_m1_m2 = DATA(2,-1,-2);
+data->data_m2_0_m2 = DATA(-2,0,-2);
+data->data_m1_0_m2 = DATA(-1,0,-2);
+data->data_0_0_m2 = DATA(0,0,-2);
+data->data_p1_0_m2 = DATA(1,0,-2);
+data->data_p2_0_m2 = DATA(2,0,-2);
+data->data_m2_p1_m2 = DATA(-2,1,-2);
+data->data_m1_p1_m2 = DATA(-1,1,-2);
+data->data_0_p1_m2 = DATA(0,1,-2);
+data->data_p1_p1_m2 = DATA(1,1,-2);
+data->data_p2_p1_m2 = DATA(2,1,-2);
+data->data_m2_p2_m2 = DATA(-2,2,-2);
+data->data_m1_p2_m2 = DATA(-1,2,-2);
+data->data_0_p2_m2 = DATA(0,2,-2);
+data->data_p1_p2_m2 = DATA(1,2,-2);
+data->data_p2_p2_m2 = DATA(2,2,-2);
+data->data_m2_m2_m1 = DATA(-2,-2,-1);
+data->data_m1_m2_m1 = DATA(-1,-2,-1);
+data->data_0_m2_m1 = DATA(0,-2,-1);
+data->data_p1_m2_m1 = DATA(1,-2,-1);
+data->data_p2_m2_m1 = DATA(2,-2,-1);
+data->data_m2_m1_m1 = DATA(-2,-1,-1);
+data->data_m1_m1_m1 = DATA(-1,-1,-1);
+data->data_0_m1_m1 = DATA(0,-1,-1);
+data->data_p1_m1_m1 = DATA(1,-1,-1);
+data->data_p2_m1_m1 = DATA(2,-1,-1);
+data->data_m2_0_m1 = DATA(-2,0,-1);
+data->data_m1_0_m1 = DATA(-1,0,-1);
+data->data_0_0_m1 = DATA(0,0,-1);
+data->data_p1_0_m1 = DATA(1,0,-1);
+data->data_p2_0_m1 = DATA(2,0,-1);
+data->data_m2_p1_m1 = DATA(-2,1,-1);
+data->data_m1_p1_m1 = DATA(-1,1,-1);
+data->data_0_p1_m1 = DATA(0,1,-1);
+data->data_p1_p1_m1 = DATA(1,1,-1);
+data->data_p2_p1_m1 = DATA(2,1,-1);
+data->data_m2_p2_m1 = DATA(-2,2,-1);
+data->data_m1_p2_m1 = DATA(-1,2,-1);
+data->data_0_p2_m1 = DATA(0,2,-1);
+data->data_p1_p2_m1 = DATA(1,2,-1);
+data->data_p2_p2_m1 = DATA(2,2,-1);
+data->data_m2_m2_0 = DATA(-2,-2,0);
+data->data_m1_m2_0 = DATA(-1,-2,0);
+data->data_0_m2_0 = DATA(0,-2,0);
+data->data_p1_m2_0 = DATA(1,-2,0);
+data->data_p2_m2_0 = DATA(2,-2,0);
+data->data_m2_m1_0 = DATA(-2,-1,0);
+data->data_m1_m1_0 = DATA(-1,-1,0);
+data->data_0_m1_0 = DATA(0,-1,0);
+data->data_p1_m1_0 = DATA(1,-1,0);
+data->data_p2_m1_0 = DATA(2,-1,0);
+data->data_m2_0_0 = DATA(-2,0,0);
+data->data_m1_0_0 = DATA(-1,0,0);
+data->data_0_0_0 = DATA(0,0,0);
+data->data_p1_0_0 = DATA(1,0,0);
+data->data_p2_0_0 = DATA(2,0,0);
+data->data_m2_p1_0 = DATA(-2,1,0);
+data->data_m1_p1_0 = DATA(-1,1,0);
+data->data_0_p1_0 = DATA(0,1,0);
+data->data_p1_p1_0 = DATA(1,1,0);
+data->data_p2_p1_0 = DATA(2,1,0);
+data->data_m2_p2_0 = DATA(-2,2,0);
+data->data_m1_p2_0 = DATA(-1,2,0);
+data->data_0_p2_0 = DATA(0,2,0);
+data->data_p1_p2_0 = DATA(1,2,0);
+data->data_p2_p2_0 = DATA(2,2,0);
+data->data_m2_m2_p1 = DATA(-2,-2,1);
+data->data_m1_m2_p1 = DATA(-1,-2,1);
+data->data_0_m2_p1 = DATA(0,-2,1);
+data->data_p1_m2_p1 = DATA(1,-2,1);
+data->data_p2_m2_p1 = DATA(2,-2,1);
+data->data_m2_m1_p1 = DATA(-2,-1,1);
+data->data_m1_m1_p1 = DATA(-1,-1,1);
+data->data_0_m1_p1 = DATA(0,-1,1);
+data->data_p1_m1_p1 = DATA(1,-1,1);
+data->data_p2_m1_p1 = DATA(2,-1,1);
+data->data_m2_0_p1 = DATA(-2,0,1);
+data->data_m1_0_p1 = DATA(-1,0,1);
+data->data_0_0_p1 = DATA(0,0,1);
+data->data_p1_0_p1 = DATA(1,0,1);
+data->data_p2_0_p1 = DATA(2,0,1);
+data->data_m2_p1_p1 = DATA(-2,1,1);
+data->data_m1_p1_p1 = DATA(-1,1,1);
+data->data_0_p1_p1 = DATA(0,1,1);
+data->data_p1_p1_p1 = DATA(1,1,1);
+data->data_p2_p1_p1 = DATA(2,1,1);
+data->data_m2_p2_p1 = DATA(-2,2,1);
+data->data_m1_p2_p1 = DATA(-1,2,1);
+data->data_0_p2_p1 = DATA(0,2,1);
+data->data_p1_p2_p1 = DATA(1,2,1);
+data->data_p2_p2_p1 = DATA(2,2,1);
+data->data_m2_m2_p2 = DATA(-2,-2,2);
+data->data_m1_m2_p2 = DATA(-1,-2,2);
+data->data_0_m2_p2 = DATA(0,-2,2);
+data->data_p1_m2_p2 = DATA(1,-2,2);
+data->data_p2_m2_p2 = DATA(2,-2,2);
+data->data_m2_m1_p2 = DATA(-2,-1,2);
+data->data_m1_m1_p2 = DATA(-1,-1,2);
+data->data_0_m1_p2 = DATA(0,-1,2);
+data->data_p1_m1_p2 = DATA(1,-1,2);
+data->data_p2_m1_p2 = DATA(2,-1,2);
+data->data_m2_0_p2 = DATA(-2,0,2);
+data->data_m1_0_p2 = DATA(-1,0,2);
+data->data_0_0_p2 = DATA(0,0,2);
+data->data_p1_0_p2 = DATA(1,0,2);
+data->data_p2_0_p2 = DATA(2,0,2);
+data->data_m2_p1_p2 = DATA(-2,1,2);
+data->data_m1_p1_p2 = DATA(-1,1,2);
+data->data_0_p1_p2 = DATA(0,1,2);
+data->data_p1_p1_p2 = DATA(1,1,2);
+data->data_p2_p1_p2 = DATA(2,1,2);
+data->data_m2_p2_p2 = DATA(-2,2,2);
+data->data_m1_p2_p2 = DATA(-1,2,2);
+data->data_0_p2_p2 = DATA(0,2,2);
+data->data_p1_p2_p2 = DATA(1,2,2);
+data->data_p2_p2_p2 = DATA(2,2,2);
diff --git a/src/common/3d.cube.size5/store-coeffs.c b/src/common/3d.cube.size5/store-coeffs.c
new file mode 100644
index 0000000..40c057c
--- /dev/null
+++ b/src/common/3d.cube.size5/store-coeffs.c
@@ -0,0 +1,125 @@
+COEFF(-2,-2,-2) = factor * coeffs->coeff_m2_m2_m2;
+COEFF(-1,-2,-2) = factor * coeffs->coeff_m1_m2_m2;
+COEFF(0,-2,-2) = factor * coeffs->coeff_0_m2_m2;
+COEFF(1,-2,-2) = factor * coeffs->coeff_p1_m2_m2;
+COEFF(2,-2,-2) = factor * coeffs->coeff_p2_m2_m2;
+COEFF(-2,-1,-2) = factor * coeffs->coeff_m2_m1_m2;
+COEFF(-1,-1,-2) = factor * coeffs->coeff_m1_m1_m2;
+COEFF(0,-1,-2) = factor * coeffs->coeff_0_m1_m2;
+COEFF(1,-1,-2) = factor * coeffs->coeff_p1_m1_m2;
+COEFF(2,-1,-2) = factor * coeffs->coeff_p2_m1_m2;
+COEFF(-2,0,-2) = factor * coeffs->coeff_m2_0_m2;
+COEFF(-1,0,-2) = factor * coeffs->coeff_m1_0_m2;
+COEFF(0,0,-2) = factor * coeffs->coeff_0_0_m2;
+COEFF(1,0,-2) = factor * coeffs->coeff_p1_0_m2;
+COEFF(2,0,-2) = factor * coeffs->coeff_p2_0_m2;
+COEFF(-2,1,-2) = factor * coeffs->coeff_m2_p1_m2;
+COEFF(-1,1,-2) = factor * coeffs->coeff_m1_p1_m2;
+COEFF(0,1,-2) = factor * coeffs->coeff_0_p1_m2;
+COEFF(1,1,-2) = factor * coeffs->coeff_p1_p1_m2;
+COEFF(2,1,-2) = factor * coeffs->coeff_p2_p1_m2;
+COEFF(-2,2,-2) = factor * coeffs->coeff_m2_p2_m2;
+COEFF(-1,2,-2) = factor * coeffs->coeff_m1_p2_m2;
+COEFF(0,2,-2) = factor * coeffs->coeff_0_p2_m2;
+COEFF(1,2,-2) = factor * coeffs->coeff_p1_p2_m2;
+COEFF(2,2,-2) = factor * coeffs->coeff_p2_p2_m2;
+COEFF(-2,-2,-1) = factor * coeffs->coeff_m2_m2_m1;
+COEFF(-1,-2,-1) = factor * coeffs->coeff_m1_m2_m1;
+COEFF(0,-2,-1) = factor * coeffs->coeff_0_m2_m1;
+COEFF(1,-2,-1) = factor * coeffs->coeff_p1_m2_m1;
+COEFF(2,-2,-1) = factor * coeffs->coeff_p2_m2_m1;
+COEFF(-2,-1,-1) = factor * coeffs->coeff_m2_m1_m1;
+COEFF(-1,-1,-1) = factor * coeffs->coeff_m1_m1_m1;
+COEFF(0,-1,-1) = factor * coeffs->coeff_0_m1_m1;
+COEFF(1,-1,-1) = factor * coeffs->coeff_p1_m1_m1;
+COEFF(2,-1,-1) = factor * coeffs->coeff_p2_m1_m1;
+COEFF(-2,0,-1) = factor * coeffs->coeff_m2_0_m1;
+COEFF(-1,0,-1) = factor * coeffs->coeff_m1_0_m1;
+COEFF(0,0,-1) = factor * coeffs->coeff_0_0_m1;
+COEFF(1,0,-1) = factor * coeffs->coeff_p1_0_m1;
+COEFF(2,0,-1) = factor * coeffs->coeff_p2_0_m1;
+COEFF(-2,1,-1) = factor * coeffs->coeff_m2_p1_m1;
+COEFF(-1,1,-1) = factor * coeffs->coeff_m1_p1_m1;
+COEFF(0,1,-1) = factor * coeffs->coeff_0_p1_m1;
+COEFF(1,1,-1) = factor * coeffs->coeff_p1_p1_m1;
+COEFF(2,1,-1) = factor * coeffs->coeff_p2_p1_m1;
+COEFF(-2,2,-1) = factor * coeffs->coeff_m2_p2_m1;
+COEFF(-1,2,-1) = factor * coeffs->coeff_m1_p2_m1;
+COEFF(0,2,-1) = factor * coeffs->coeff_0_p2_m1;
+COEFF(1,2,-1) = factor * coeffs->coeff_p1_p2_m1;
+COEFF(2,2,-1) = factor * coeffs->coeff_p2_p2_m1;
+COEFF(-2,-2,0) = factor * coeffs->coeff_m2_m2_0;
+COEFF(-1,-2,0) = factor * coeffs->coeff_m1_m2_0;
+COEFF(0,-2,0) = factor * coeffs->coeff_0_m2_0;
+COEFF(1,-2,0) = factor * coeffs->coeff_p1_m2_0;
+COEFF(2,-2,0) = factor * coeffs->coeff_p2_m2_0;
+COEFF(-2,-1,0) = factor * coeffs->coeff_m2_m1_0;
+COEFF(-1,-1,0) = factor * coeffs->coeff_m1_m1_0;
+COEFF(0,-1,0) = factor * coeffs->coeff_0_m1_0;
+COEFF(1,-1,0) = factor * coeffs->coeff_p1_m1_0;
+COEFF(2,-1,0) = factor * coeffs->coeff_p2_m1_0;
+COEFF(-2,0,0) = factor * coeffs->coeff_m2_0_0;
+COEFF(-1,0,0) = factor * coeffs->coeff_m1_0_0;
+COEFF(0,0,0) = factor * coeffs->coeff_0_0_0;
+COEFF(1,0,0) = factor * coeffs->coeff_p1_0_0;
+COEFF(2,0,0) = factor * coeffs->coeff_p2_0_0;
+COEFF(-2,1,0) = factor * coeffs->coeff_m2_p1_0;
+COEFF(-1,1,0) = factor * coeffs->coeff_m1_p1_0;
+COEFF(0,1,0) = factor * coeffs->coeff_0_p1_0;
+COEFF(1,1,0) = factor * coeffs->coeff_p1_p1_0;
+COEFF(2,1,0) = factor * coeffs->coeff_p2_p1_0;
+COEFF(-2,2,0) = factor * coeffs->coeff_m2_p2_0;
+COEFF(-1,2,0) = factor * coeffs->coeff_m1_p2_0;
+COEFF(0,2,0) = factor * coeffs->coeff_0_p2_0;
+COEFF(1,2,0) = factor * coeffs->coeff_p1_p2_0;
+COEFF(2,2,0) = factor * coeffs->coeff_p2_p2_0;
+COEFF(-2,-2,1) = factor * coeffs->coeff_m2_m2_p1;
+COEFF(-1,-2,1) = factor * coeffs->coeff_m1_m2_p1;
+COEFF(0,-2,1) = factor * coeffs->coeff_0_m2_p1;
+COEFF(1,-2,1) = factor * coeffs->coeff_p1_m2_p1;
+COEFF(2,-2,1) = factor * coeffs->coeff_p2_m2_p1;
+COEFF(-2,-1,1) = factor * coeffs->coeff_m2_m1_p1;
+COEFF(-1,-1,1) = factor * coeffs->coeff_m1_m1_p1;
+COEFF(0,-1,1) = factor * coeffs->coeff_0_m1_p1;
+COEFF(1,-1,1) = factor * coeffs->coeff_p1_m1_p1;
+COEFF(2,-1,1) = factor * coeffs->coeff_p2_m1_p1;
+COEFF(-2,0,1) = factor * coeffs->coeff_m2_0_p1;
+COEFF(-1,0,1) = factor * coeffs->coeff_m1_0_p1;
+COEFF(0,0,1) = factor * coeffs->coeff_0_0_p1;
+COEFF(1,0,1) = factor * coeffs->coeff_p1_0_p1;
+COEFF(2,0,1) = factor * coeffs->coeff_p2_0_p1;
+COEFF(-2,1,1) = factor * coeffs->coeff_m2_p1_p1;
+COEFF(-1,1,1) = factor * coeffs->coeff_m1_p1_p1;
+COEFF(0,1,1) = factor * coeffs->coeff_0_p1_p1;
+COEFF(1,1,1) = factor * coeffs->coeff_p1_p1_p1;
+COEFF(2,1,1) = factor * coeffs->coeff_p2_p1_p1;
+COEFF(-2,2,1) = factor * coeffs->coeff_m2_p2_p1;
+COEFF(-1,2,1) = factor * coeffs->coeff_m1_p2_p1;
+COEFF(0,2,1) = factor * coeffs->coeff_0_p2_p1;
+COEFF(1,2,1) = factor * coeffs->coeff_p1_p2_p1;
+COEFF(2,2,1) = factor * coeffs->coeff_p2_p2_p1;
+COEFF(-2,-2,2) = factor * coeffs->coeff_m2_m2_p2;
+COEFF(-1,-2,2) = factor * coeffs->coeff_m1_m2_p2;
+COEFF(0,-2,2) = factor * coeffs->coeff_0_m2_p2;
+COEFF(1,-2,2) = factor * coeffs->coeff_p1_m2_p2;
+COEFF(2,-2,2) = factor * coeffs->coeff_p2_m2_p2;
+COEFF(-2,-1,2) = factor * coeffs->coeff_m2_m1_p2;
+COEFF(-1,-1,2) = factor * coeffs->coeff_m1_m1_p2;
+COEFF(0,-1,2) = factor * coeffs->coeff_0_m1_p2;
+COEFF(1,-1,2) = factor * coeffs->coeff_p1_m1_p2;
+COEFF(2,-1,2) = factor * coeffs->coeff_p2_m1_p2;
+COEFF(-2,0,2) = factor * coeffs->coeff_m2_0_p2;
+COEFF(-1,0,2) = factor * coeffs->coeff_m1_0_p2;
+COEFF(0,0,2) = factor * coeffs->coeff_0_0_p2;
+COEFF(1,0,2) = factor * coeffs->coeff_p1_0_p2;
+COEFF(2,0,2) = factor * coeffs->coeff_p2_0_p2;
+COEFF(-2,1,2) = factor * coeffs->coeff_m2_p1_p2;
+COEFF(-1,1,2) = factor * coeffs->coeff_m1_p1_p2;
+COEFF(0,1,2) = factor * coeffs->coeff_0_p1_p2;
+COEFF(1,1,2) = factor * coeffs->coeff_p1_p1_p2;
+COEFF(2,1,2) = factor * coeffs->coeff_p2_p1_p2;
+COEFF(-2,2,2) = factor * coeffs->coeff_m2_p2_p2;
+COEFF(-1,2,2) = factor * coeffs->coeff_m1_p2_p2;
+COEFF(0,2,2) = factor * coeffs->coeff_0_p2_p2;
+COEFF(1,2,2) = factor * coeffs->coeff_p1_p2_p2;
+COEFF(2,2,2) = factor * coeffs->coeff_p2_p2_p2;
diff --git a/src/common/3d.cube.size6/coeffs-dcl.h b/src/common/3d.cube.size6/coeffs-dcl.h
new file mode 100644
index 0000000..bb2ad77
--- /dev/null
+++ b/src/common/3d.cube.size6/coeffs-dcl.h
@@ -0,0 +1,216 @@
+fp coeff_m2_m2_m2;
+fp coeff_m1_m2_m2;
+fp coeff_0_m2_m2;
+fp coeff_p1_m2_m2;
+fp coeff_p2_m2_m2;
+fp coeff_p3_m2_m2;
+fp coeff_m2_m1_m2;
+fp coeff_m1_m1_m2;
+fp coeff_0_m1_m2;
+fp coeff_p1_m1_m2;
+fp coeff_p2_m1_m2;
+fp coeff_p3_m1_m2;
+fp coeff_m2_0_m2;
+fp coeff_m1_0_m2;
+fp coeff_0_0_m2;
+fp coeff_p1_0_m2;
+fp coeff_p2_0_m2;
+fp coeff_p3_0_m2;
+fp coeff_m2_p1_m2;
+fp coeff_m1_p1_m2;
+fp coeff_0_p1_m2;
+fp coeff_p1_p1_m2;
+fp coeff_p2_p1_m2;
+fp coeff_p3_p1_m2;
+fp coeff_m2_p2_m2;
+fp coeff_m1_p2_m2;
+fp coeff_0_p2_m2;
+fp coeff_p1_p2_m2;
+fp coeff_p2_p2_m2;
+fp coeff_p3_p2_m2;
+fp coeff_m2_p3_m2;
+fp coeff_m1_p3_m2;
+fp coeff_0_p3_m2;
+fp coeff_p1_p3_m2;
+fp coeff_p2_p3_m2;
+fp coeff_p3_p3_m2;
+fp coeff_m2_m2_m1;
+fp coeff_m1_m2_m1;
+fp coeff_0_m2_m1;
+fp coeff_p1_m2_m1;
+fp coeff_p2_m2_m1;
+fp coeff_p3_m2_m1;
+fp coeff_m2_m1_m1;
+fp coeff_m1_m1_m1;
+fp coeff_0_m1_m1;
+fp coeff_p1_m1_m1;
+fp coeff_p2_m1_m1;
+fp coeff_p3_m1_m1;
+fp coeff_m2_0_m1;
+fp coeff_m1_0_m1;
+fp coeff_0_0_m1;
+fp coeff_p1_0_m1;
+fp coeff_p2_0_m1;
+fp coeff_p3_0_m1;
+fp coeff_m2_p1_m1;
+fp coeff_m1_p1_m1;
+fp coeff_0_p1_m1;
+fp coeff_p1_p1_m1;
+fp coeff_p2_p1_m1;
+fp coeff_p3_p1_m1;
+fp coeff_m2_p2_m1;
+fp coeff_m1_p2_m1;
+fp coeff_0_p2_m1;
+fp coeff_p1_p2_m1;
+fp coeff_p2_p2_m1;
+fp coeff_p3_p2_m1;
+fp coeff_m2_p3_m1;
+fp coeff_m1_p3_m1;
+fp coeff_0_p3_m1;
+fp coeff_p1_p3_m1;
+fp coeff_p2_p3_m1;
+fp coeff_p3_p3_m1;
+fp coeff_m2_m2_0;
+fp coeff_m1_m2_0;
+fp coeff_0_m2_0;
+fp coeff_p1_m2_0;
+fp coeff_p2_m2_0;
+fp coeff_p3_m2_0;
+fp coeff_m2_m1_0;
+fp coeff_m1_m1_0;
+fp coeff_0_m1_0;
+fp coeff_p1_m1_0;
+fp coeff_p2_m1_0;
+fp coeff_p3_m1_0;
+fp coeff_m2_0_0;
+fp coeff_m1_0_0;
+fp coeff_0_0_0;
+fp coeff_p1_0_0;
+fp coeff_p2_0_0;
+fp coeff_p3_0_0;
+fp coeff_m2_p1_0;
+fp coeff_m1_p1_0;
+fp coeff_0_p1_0;
+fp coeff_p1_p1_0;
+fp coeff_p2_p1_0;
+fp coeff_p3_p1_0;
+fp coeff_m2_p2_0;
+fp coeff_m1_p2_0;
+fp coeff_0_p2_0;
+fp coeff_p1_p2_0;
+fp coeff_p2_p2_0;
+fp coeff_p3_p2_0;
+fp coeff_m2_p3_0;
+fp coeff_m1_p3_0;
+fp coeff_0_p3_0;
+fp coeff_p1_p3_0;
+fp coeff_p2_p3_0;
+fp coeff_p3_p3_0;
+fp coeff_m2_m2_p1;
+fp coeff_m1_m2_p1;
+fp coeff_0_m2_p1;
+fp coeff_p1_m2_p1;
+fp coeff_p2_m2_p1;
+fp coeff_p3_m2_p1;
+fp coeff_m2_m1_p1;
+fp coeff_m1_m1_p1;
+fp coeff_0_m1_p1;
+fp coeff_p1_m1_p1;
+fp coeff_p2_m1_p1;
+fp coeff_p3_m1_p1;
+fp coeff_m2_0_p1;
+fp coeff_m1_0_p1;
+fp coeff_0_0_p1;
+fp coeff_p1_0_p1;
+fp coeff_p2_0_p1;
+fp coeff_p3_0_p1;
+fp coeff_m2_p1_p1;
+fp coeff_m1_p1_p1;
+fp coeff_0_p1_p1;
+fp coeff_p1_p1_p1;
+fp coeff_p2_p1_p1;
+fp coeff_p3_p1_p1;
+fp coeff_m2_p2_p1;
+fp coeff_m1_p2_p1;
+fp coeff_0_p2_p1;
+fp coeff_p1_p2_p1;
+fp coeff_p2_p2_p1;
+fp coeff_p3_p2_p1;
+fp coeff_m2_p3_p1;
+fp coeff_m1_p3_p1;
+fp coeff_0_p3_p1;
+fp coeff_p1_p3_p1;
+fp coeff_p2_p3_p1;
+fp coeff_p3_p3_p1;
+fp coeff_m2_m2_p2;
+fp coeff_m1_m2_p2;
+fp coeff_0_m2_p2;
+fp coeff_p1_m2_p2;
+fp coeff_p2_m2_p2;
+fp coeff_p3_m2_p2;
+fp coeff_m2_m1_p2;
+fp coeff_m1_m1_p2;
+fp coeff_0_m1_p2;
+fp coeff_p1_m1_p2;
+fp coeff_p2_m1_p2;
+fp coeff_p3_m1_p2;
+fp coeff_m2_0_p2;
+fp coeff_m1_0_p2;
+fp coeff_0_0_p2;
+fp coeff_p1_0_p2;
+fp coeff_p2_0_p2;
+fp coeff_p3_0_p2;
+fp coeff_m2_p1_p2;
+fp coeff_m1_p1_p2;
+fp coeff_0_p1_p2;
+fp coeff_p1_p1_p2;
+fp coeff_p2_p1_p2;
+fp coeff_p3_p1_p2;
+fp coeff_m2_p2_p2;
+fp coeff_m1_p2_p2;
+fp coeff_0_p2_p2;
+fp coeff_p1_p2_p2;
+fp coeff_p2_p2_p2;
+fp coeff_p3_p2_p2;
+fp coeff_m2_p3_p2;
+fp coeff_m1_p3_p2;
+fp coeff_0_p3_p2;
+fp coeff_p1_p3_p2;
+fp coeff_p2_p3_p2;
+fp coeff_p3_p3_p2;
+fp coeff_m2_m2_p3;
+fp coeff_m1_m2_p3;
+fp coeff_0_m2_p3;
+fp coeff_p1_m2_p3;
+fp coeff_p2_m2_p3;
+fp coeff_p3_m2_p3;
+fp coeff_m2_m1_p3;
+fp coeff_m1_m1_p3;
+fp coeff_0_m1_p3;
+fp coeff_p1_m1_p3;
+fp coeff_p2_m1_p3;
+fp coeff_p3_m1_p3;
+fp coeff_m2_0_p3;
+fp coeff_m1_0_p3;
+fp coeff_0_0_p3;
+fp coeff_p1_0_p3;
+fp coeff_p2_0_p3;
+fp coeff_p3_0_p3;
+fp coeff_m2_p1_p3;
+fp coeff_m1_p1_p3;
+fp coeff_0_p1_p3;
+fp coeff_p1_p1_p3;
+fp coeff_p2_p1_p3;
+fp coeff_p3_p1_p3;
+fp coeff_m2_p2_p3;
+fp coeff_m1_p2_p3;
+fp coeff_0_p2_p3;
+fp coeff_p1_p2_p3;
+fp coeff_p2_p2_p3;
+fp coeff_p3_p2_p3;
+fp coeff_m2_p3_p3;
+fp coeff_m1_p3_p3;
+fp coeff_0_p3_p3;
+fp coeff_p1_p3_p3;
+fp coeff_p2_p3_p3;
+fp coeff_p3_p3_p3;
diff --git a/src/common/3d.cube.size6/data-dcl.h b/src/common/3d.cube.size6/data-dcl.h
new file mode 100644
index 0000000..839cd8e
--- /dev/null
+++ b/src/common/3d.cube.size6/data-dcl.h
@@ -0,0 +1,216 @@
+fp data_m2_m2_m2;
+fp data_m1_m2_m2;
+fp data_0_m2_m2;
+fp data_p1_m2_m2;
+fp data_p2_m2_m2;
+fp data_p3_m2_m2;
+fp data_m2_m1_m2;
+fp data_m1_m1_m2;
+fp data_0_m1_m2;
+fp data_p1_m1_m2;
+fp data_p2_m1_m2;
+fp data_p3_m1_m2;
+fp data_m2_0_m2;
+fp data_m1_0_m2;
+fp data_0_0_m2;
+fp data_p1_0_m2;
+fp data_p2_0_m2;
+fp data_p3_0_m2;
+fp data_m2_p1_m2;
+fp data_m1_p1_m2;
+fp data_0_p1_m2;
+fp data_p1_p1_m2;
+fp data_p2_p1_m2;
+fp data_p3_p1_m2;
+fp data_m2_p2_m2;
+fp data_m1_p2_m2;
+fp data_0_p2_m2;
+fp data_p1_p2_m2;
+fp data_p2_p2_m2;
+fp data_p3_p2_m2;
+fp data_m2_p3_m2;
+fp data_m1_p3_m2;
+fp data_0_p3_m2;
+fp data_p1_p3_m2;
+fp data_p2_p3_m2;
+fp data_p3_p3_m2;
+fp data_m2_m2_m1;
+fp data_m1_m2_m1;
+fp data_0_m2_m1;
+fp data_p1_m2_m1;
+fp data_p2_m2_m1;
+fp data_p3_m2_m1;
+fp data_m2_m1_m1;
+fp data_m1_m1_m1;
+fp data_0_m1_m1;
+fp data_p1_m1_m1;
+fp data_p2_m1_m1;
+fp data_p3_m1_m1;
+fp data_m2_0_m1;
+fp data_m1_0_m1;
+fp data_0_0_m1;
+fp data_p1_0_m1;
+fp data_p2_0_m1;
+fp data_p3_0_m1;
+fp data_m2_p1_m1;
+fp data_m1_p1_m1;
+fp data_0_p1_m1;
+fp data_p1_p1_m1;
+fp data_p2_p1_m1;
+fp data_p3_p1_m1;
+fp data_m2_p2_m1;
+fp data_m1_p2_m1;
+fp data_0_p2_m1;
+fp data_p1_p2_m1;
+fp data_p2_p2_m1;
+fp data_p3_p2_m1;
+fp data_m2_p3_m1;
+fp data_m1_p3_m1;
+fp data_0_p3_m1;
+fp data_p1_p3_m1;
+fp data_p2_p3_m1;
+fp data_p3_p3_m1;
+fp data_m2_m2_0;
+fp data_m1_m2_0;
+fp data_0_m2_0;
+fp data_p1_m2_0;
+fp data_p2_m2_0;
+fp data_p3_m2_0;
+fp data_m2_m1_0;
+fp data_m1_m1_0;
+fp data_0_m1_0;
+fp data_p1_m1_0;
+fp data_p2_m1_0;
+fp data_p3_m1_0;
+fp data_m2_0_0;
+fp data_m1_0_0;
+fp data_0_0_0;
+fp data_p1_0_0;
+fp data_p2_0_0;
+fp data_p3_0_0;
+fp data_m2_p1_0;
+fp data_m1_p1_0;
+fp data_0_p1_0;
+fp data_p1_p1_0;
+fp data_p2_p1_0;
+fp data_p3_p1_0;
+fp data_m2_p2_0;
+fp data_m1_p2_0;
+fp data_0_p2_0;
+fp data_p1_p2_0;
+fp data_p2_p2_0;
+fp data_p3_p2_0;
+fp data_m2_p3_0;
+fp data_m1_p3_0;
+fp data_0_p3_0;
+fp data_p1_p3_0;
+fp data_p2_p3_0;
+fp data_p3_p3_0;
+fp data_m2_m2_p1;
+fp data_m1_m2_p1;
+fp data_0_m2_p1;
+fp data_p1_m2_p1;
+fp data_p2_m2_p1;
+fp data_p3_m2_p1;
+fp data_m2_m1_p1;
+fp data_m1_m1_p1;
+fp data_0_m1_p1;
+fp data_p1_m1_p1;
+fp data_p2_m1_p1;
+fp data_p3_m1_p1;
+fp data_m2_0_p1;
+fp data_m1_0_p1;
+fp data_0_0_p1;
+fp data_p1_0_p1;
+fp data_p2_0_p1;
+fp data_p3_0_p1;
+fp data_m2_p1_p1;
+fp data_m1_p1_p1;
+fp data_0_p1_p1;
+fp data_p1_p1_p1;
+fp data_p2_p1_p1;
+fp data_p3_p1_p1;
+fp data_m2_p2_p1;
+fp data_m1_p2_p1;
+fp data_0_p2_p1;
+fp data_p1_p2_p1;
+fp data_p2_p2_p1;
+fp data_p3_p2_p1;
+fp data_m2_p3_p1;
+fp data_m1_p3_p1;
+fp data_0_p3_p1;
+fp data_p1_p3_p1;
+fp data_p2_p3_p1;
+fp data_p3_p3_p1;
+fp data_m2_m2_p2;
+fp data_m1_m2_p2;
+fp data_0_m2_p2;
+fp data_p1_m2_p2;
+fp data_p2_m2_p2;
+fp data_p3_m2_p2;
+fp data_m2_m1_p2;
+fp data_m1_m1_p2;
+fp data_0_m1_p2;
+fp data_p1_m1_p2;
+fp data_p2_m1_p2;
+fp data_p3_m1_p2;
+fp data_m2_0_p2;
+fp data_m1_0_p2;
+fp data_0_0_p2;
+fp data_p1_0_p2;
+fp data_p2_0_p2;
+fp data_p3_0_p2;
+fp data_m2_p1_p2;
+fp data_m1_p1_p2;
+fp data_0_p1_p2;
+fp data_p1_p1_p2;
+fp data_p2_p1_p2;
+fp data_p3_p1_p2;
+fp data_m2_p2_p2;
+fp data_m1_p2_p2;
+fp data_0_p2_p2;
+fp data_p1_p2_p2;
+fp data_p2_p2_p2;
+fp data_p3_p2_p2;
+fp data_m2_p3_p2;
+fp data_m1_p3_p2;
+fp data_0_p3_p2;
+fp data_p1_p3_p2;
+fp data_p2_p3_p2;
+fp data_p3_p3_p2;
+fp data_m2_m2_p3;
+fp data_m1_m2_p3;
+fp data_0_m2_p3;
+fp data_p1_m2_p3;
+fp data_p2_m2_p3;
+fp data_p3_m2_p3;
+fp data_m2_m1_p3;
+fp data_m1_m1_p3;
+fp data_0_m1_p3;
+fp data_p1_m1_p3;
+fp data_p2_m1_p3;
+fp data_p3_m1_p3;
+fp data_m2_0_p3;
+fp data_m1_0_p3;
+fp data_0_0_p3;
+fp data_p1_0_p3;
+fp data_p2_0_p3;
+fp data_p3_0_p3;
+fp data_m2_p1_p3;
+fp data_m1_p1_p3;
+fp data_0_p1_p3;
+fp data_p1_p1_p3;
+fp data_p2_p1_p3;
+fp data_p3_p1_p3;
+fp data_m2_p2_p3;
+fp data_m1_p2_p3;
+fp data_0_p2_p3;
+fp data_p1_p2_p3;
+fp data_p2_p2_p3;
+fp data_p3_p2_p3;
+fp data_m2_p3_p3;
+fp data_m1_p3_p3;
+fp data_0_p3_p3;
+fp data_p1_p3_p3;
+fp data_p2_p3_p3;
+fp data_p3_p3_p3;
diff --git a/src/common/3d.cube.size6/evaluate-molecule.c b/src/common/3d.cube.size6/evaluate-molecule.c
new file mode 100644
index 0000000..ccbfa3b
--- /dev/null
+++ b/src/common/3d.cube.size6/evaluate-molecule.c
@@ -0,0 +1,216 @@
+    coeffs->coeff_m2_m2_m2*data->data_m2_m2_m2
+  + coeffs->coeff_m1_m2_m2*data->data_m1_m2_m2
+  + coeffs->coeff_0_m2_m2*data->data_0_m2_m2
+  + coeffs->coeff_p1_m2_m2*data->data_p1_m2_m2
+  + coeffs->coeff_p2_m2_m2*data->data_p2_m2_m2
+  + coeffs->coeff_p3_m2_m2*data->data_p3_m2_m2
+  + coeffs->coeff_m2_m1_m2*data->data_m2_m1_m2
+  + coeffs->coeff_m1_m1_m2*data->data_m1_m1_m2
+  + coeffs->coeff_0_m1_m2*data->data_0_m1_m2
+  + coeffs->coeff_p1_m1_m2*data->data_p1_m1_m2
+  + coeffs->coeff_p2_m1_m2*data->data_p2_m1_m2
+  + coeffs->coeff_p3_m1_m2*data->data_p3_m1_m2
+  + coeffs->coeff_m2_0_m2*data->data_m2_0_m2
+  + coeffs->coeff_m1_0_m2*data->data_m1_0_m2
+  + coeffs->coeff_0_0_m2*data->data_0_0_m2
+  + coeffs->coeff_p1_0_m2*data->data_p1_0_m2
+  + coeffs->coeff_p2_0_m2*data->data_p2_0_m2
+  + coeffs->coeff_p3_0_m2*data->data_p3_0_m2
+  + coeffs->coeff_m2_p1_m2*data->data_m2_p1_m2
+  + coeffs->coeff_m1_p1_m2*data->data_m1_p1_m2
+  + coeffs->coeff_0_p1_m2*data->data_0_p1_m2
+  + coeffs->coeff_p1_p1_m2*data->data_p1_p1_m2
+  + coeffs->coeff_p2_p1_m2*data->data_p2_p1_m2
+  + coeffs->coeff_p3_p1_m2*data->data_p3_p1_m2
+  + coeffs->coeff_m2_p2_m2*data->data_m2_p2_m2
+  + coeffs->coeff_m1_p2_m2*data->data_m1_p2_m2
+  + coeffs->coeff_0_p2_m2*data->data_0_p2_m2
+  + coeffs->coeff_p1_p2_m2*data->data_p1_p2_m2
+  + coeffs->coeff_p2_p2_m2*data->data_p2_p2_m2
+  + coeffs->coeff_p3_p2_m2*data->data_p3_p2_m2
+  + coeffs->coeff_m2_p3_m2*data->data_m2_p3_m2
+  + coeffs->coeff_m1_p3_m2*data->data_m1_p3_m2
+  + coeffs->coeff_0_p3_m2*data->data_0_p3_m2
+  + coeffs->coeff_p1_p3_m2*data->data_p1_p3_m2
+  + coeffs->coeff_p2_p3_m2*data->data_p2_p3_m2
+  + coeffs->coeff_p3_p3_m2*data->data_p3_p3_m2
+  + coeffs->coeff_m2_m2_m1*data->data_m2_m2_m1
+  + coeffs->coeff_m1_m2_m1*data->data_m1_m2_m1
+  + coeffs->coeff_0_m2_m1*data->data_0_m2_m1
+  + coeffs->coeff_p1_m2_m1*data->data_p1_m2_m1
+  + coeffs->coeff_p2_m2_m1*data->data_p2_m2_m1
+  + coeffs->coeff_p3_m2_m1*data->data_p3_m2_m1
+  + coeffs->coeff_m2_m1_m1*data->data_m2_m1_m1
+  + coeffs->coeff_m1_m1_m1*data->data_m1_m1_m1
+  + coeffs->coeff_0_m1_m1*data->data_0_m1_m1
+  + coeffs->coeff_p1_m1_m1*data->data_p1_m1_m1
+  + coeffs->coeff_p2_m1_m1*data->data_p2_m1_m1
+  + coeffs->coeff_p3_m1_m1*data->data_p3_m1_m1
+  + coeffs->coeff_m2_0_m1*data->data_m2_0_m1
+  + coeffs->coeff_m1_0_m1*data->data_m1_0_m1
+  + coeffs->coeff_0_0_m1*data->data_0_0_m1
+  + coeffs->coeff_p1_0_m1*data->data_p1_0_m1
+  + coeffs->coeff_p2_0_m1*data->data_p2_0_m1
+  + coeffs->coeff_p3_0_m1*data->data_p3_0_m1
+  + coeffs->coeff_m2_p1_m1*data->data_m2_p1_m1
+  + coeffs->coeff_m1_p1_m1*data->data_m1_p1_m1
+  + coeffs->coeff_0_p1_m1*data->data_0_p1_m1
+  + coeffs->coeff_p1_p1_m1*data->data_p1_p1_m1
+  + coeffs->coeff_p2_p1_m1*data->data_p2_p1_m1
+  + coeffs->coeff_p3_p1_m1*data->data_p3_p1_m1
+  + coeffs->coeff_m2_p2_m1*data->data_m2_p2_m1
+  + coeffs->coeff_m1_p2_m1*data->data_m1_p2_m1
+  + coeffs->coeff_0_p2_m1*data->data_0_p2_m1
+  + coeffs->coeff_p1_p2_m1*data->data_p1_p2_m1
+  + coeffs->coeff_p2_p2_m1*data->data_p2_p2_m1
+  + coeffs->coeff_p3_p2_m1*data->data_p3_p2_m1
+  + coeffs->coeff_m2_p3_m1*data->data_m2_p3_m1
+  + coeffs->coeff_m1_p3_m1*data->data_m1_p3_m1
+  + coeffs->coeff_0_p3_m1*data->data_0_p3_m1
+  + coeffs->coeff_p1_p3_m1*data->data_p1_p3_m1
+  + coeffs->coeff_p2_p3_m1*data->data_p2_p3_m1
+  + coeffs->coeff_p3_p3_m1*data->data_p3_p3_m1
+  + coeffs->coeff_m2_m2_0*data->data_m2_m2_0
+  + coeffs->coeff_m1_m2_0*data->data_m1_m2_0
+  + coeffs->coeff_0_m2_0*data->data_0_m2_0
+  + coeffs->coeff_p1_m2_0*data->data_p1_m2_0
+  + coeffs->coeff_p2_m2_0*data->data_p2_m2_0
+  + coeffs->coeff_p3_m2_0*data->data_p3_m2_0
+  + coeffs->coeff_m2_m1_0*data->data_m2_m1_0
+  + coeffs->coeff_m1_m1_0*data->data_m1_m1_0
+  + coeffs->coeff_0_m1_0*data->data_0_m1_0
+  + coeffs->coeff_p1_m1_0*data->data_p1_m1_0
+  + coeffs->coeff_p2_m1_0*data->data_p2_m1_0
+  + coeffs->coeff_p3_m1_0*data->data_p3_m1_0
+  + coeffs->coeff_m2_0_0*data->data_m2_0_0
+  + coeffs->coeff_m1_0_0*data->data_m1_0_0
+  + coeffs->coeff_0_0_0*data->data_0_0_0
+  + coeffs->coeff_p1_0_0*data->data_p1_0_0
+  + coeffs->coeff_p2_0_0*data->data_p2_0_0
+  + coeffs->coeff_p3_0_0*data->data_p3_0_0
+  + coeffs->coeff_m2_p1_0*data->data_m2_p1_0
+  + coeffs->coeff_m1_p1_0*data->data_m1_p1_0
+  + coeffs->coeff_0_p1_0*data->data_0_p1_0
+  + coeffs->coeff_p1_p1_0*data->data_p1_p1_0
+  + coeffs->coeff_p2_p1_0*data->data_p2_p1_0
+  + coeffs->coeff_p3_p1_0*data->data_p3_p1_0
+  + coeffs->coeff_m2_p2_0*data->data_m2_p2_0
+  + coeffs->coeff_m1_p2_0*data->data_m1_p2_0
+  + coeffs->coeff_0_p2_0*data->data_0_p2_0
+  + coeffs->coeff_p1_p2_0*data->data_p1_p2_0
+  + coeffs->coeff_p2_p2_0*data->data_p2_p2_0
+  + coeffs->coeff_p3_p2_0*data->data_p3_p2_0
+  + coeffs->coeff_m2_p3_0*data->data_m2_p3_0
+  + coeffs->coeff_m1_p3_0*data->data_m1_p3_0
+  + coeffs->coeff_0_p3_0*data->data_0_p3_0
+  + coeffs->coeff_p1_p3_0*data->data_p1_p3_0
+  + coeffs->coeff_p2_p3_0*data->data_p2_p3_0
+  + coeffs->coeff_p3_p3_0*data->data_p3_p3_0
+  + coeffs->coeff_m2_m2_p1*data->data_m2_m2_p1
+  + coeffs->coeff_m1_m2_p1*data->data_m1_m2_p1
+  + coeffs->coeff_0_m2_p1*data->data_0_m2_p1
+  + coeffs->coeff_p1_m2_p1*data->data_p1_m2_p1
+  + coeffs->coeff_p2_m2_p1*data->data_p2_m2_p1
+  + coeffs->coeff_p3_m2_p1*data->data_p3_m2_p1
+  + coeffs->coeff_m2_m1_p1*data->data_m2_m1_p1
+  + coeffs->coeff_m1_m1_p1*data->data_m1_m1_p1
+  + coeffs->coeff_0_m1_p1*data->data_0_m1_p1
+  + coeffs->coeff_p1_m1_p1*data->data_p1_m1_p1
+  + coeffs->coeff_p2_m1_p1*data->data_p2_m1_p1
+  + coeffs->coeff_p3_m1_p1*data->data_p3_m1_p1
+  + coeffs->coeff_m2_0_p1*data->data_m2_0_p1
+  + coeffs->coeff_m1_0_p1*data->data_m1_0_p1
+  + coeffs->coeff_0_0_p1*data->data_0_0_p1
+  + coeffs->coeff_p1_0_p1*data->data_p1_0_p1
+  + coeffs->coeff_p2_0_p1*data->data_p2_0_p1
+  + coeffs->coeff_p3_0_p1*data->data_p3_0_p1
+  + coeffs->coeff_m2_p1_p1*data->data_m2_p1_p1
+  + coeffs->coeff_m1_p1_p1*data->data_m1_p1_p1
+  + coeffs->coeff_0_p1_p1*data->data_0_p1_p1
+  + coeffs->coeff_p1_p1_p1*data->data_p1_p1_p1
+  + coeffs->coeff_p2_p1_p1*data->data_p2_p1_p1
+  + coeffs->coeff_p3_p1_p1*data->data_p3_p1_p1
+  + coeffs->coeff_m2_p2_p1*data->data_m2_p2_p1
+  + coeffs->coeff_m1_p2_p1*data->data_m1_p2_p1
+  + coeffs->coeff_0_p2_p1*data->data_0_p2_p1
+  + coeffs->coeff_p1_p2_p1*data->data_p1_p2_p1
+  + coeffs->coeff_p2_p2_p1*data->data_p2_p2_p1
+  + coeffs->coeff_p3_p2_p1*data->data_p3_p2_p1
+  + coeffs->coeff_m2_p3_p1*data->data_m2_p3_p1
+  + coeffs->coeff_m1_p3_p1*data->data_m1_p3_p1
+  + coeffs->coeff_0_p3_p1*data->data_0_p3_p1
+  + coeffs->coeff_p1_p3_p1*data->data_p1_p3_p1
+  + coeffs->coeff_p2_p3_p1*data->data_p2_p3_p1
+  + coeffs->coeff_p3_p3_p1*data->data_p3_p3_p1
+  + coeffs->coeff_m2_m2_p2*data->data_m2_m2_p2
+  + coeffs->coeff_m1_m2_p2*data->data_m1_m2_p2
+  + coeffs->coeff_0_m2_p2*data->data_0_m2_p2
+  + coeffs->coeff_p1_m2_p2*data->data_p1_m2_p2
+  + coeffs->coeff_p2_m2_p2*data->data_p2_m2_p2
+  + coeffs->coeff_p3_m2_p2*data->data_p3_m2_p2
+  + coeffs->coeff_m2_m1_p2*data->data_m2_m1_p2
+  + coeffs->coeff_m1_m1_p2*data->data_m1_m1_p2
+  + coeffs->coeff_0_m1_p2*data->data_0_m1_p2
+  + coeffs->coeff_p1_m1_p2*data->data_p1_m1_p2
+  + coeffs->coeff_p2_m1_p2*data->data_p2_m1_p2
+  + coeffs->coeff_p3_m1_p2*data->data_p3_m1_p2
+  + coeffs->coeff_m2_0_p2*data->data_m2_0_p2
+  + coeffs->coeff_m1_0_p2*data->data_m1_0_p2
+  + coeffs->coeff_0_0_p2*data->data_0_0_p2
+  + coeffs->coeff_p1_0_p2*data->data_p1_0_p2
+  + coeffs->coeff_p2_0_p2*data->data_p2_0_p2
+  + coeffs->coeff_p3_0_p2*data->data_p3_0_p2
+  + coeffs->coeff_m2_p1_p2*data->data_m2_p1_p2
+  + coeffs->coeff_m1_p1_p2*data->data_m1_p1_p2
+  + coeffs->coeff_0_p1_p2*data->data_0_p1_p2
+  + coeffs->coeff_p1_p1_p2*data->data_p1_p1_p2
+  + coeffs->coeff_p2_p1_p2*data->data_p2_p1_p2
+  + coeffs->coeff_p3_p1_p2*data->data_p3_p1_p2
+  + coeffs->coeff_m2_p2_p2*data->data_m2_p2_p2
+  + coeffs->coeff_m1_p2_p2*data->data_m1_p2_p2
+  + coeffs->coeff_0_p2_p2*data->data_0_p2_p2
+  + coeffs->coeff_p1_p2_p2*data->data_p1_p2_p2
+  + coeffs->coeff_p2_p2_p2*data->data_p2_p2_p2
+  + coeffs->coeff_p3_p2_p2*data->data_p3_p2_p2
+  + coeffs->coeff_m2_p3_p2*data->data_m2_p3_p2
+  + coeffs->coeff_m1_p3_p2*data->data_m1_p3_p2
+  + coeffs->coeff_0_p3_p2*data->data_0_p3_p2
+  + coeffs->coeff_p1_p3_p2*data->data_p1_p3_p2
+  + coeffs->coeff_p2_p3_p2*data->data_p2_p3_p2
+  + coeffs->coeff_p3_p3_p2*data->data_p3_p3_p2
+  + coeffs->coeff_m2_m2_p3*data->data_m2_m2_p3
+  + coeffs->coeff_m1_m2_p3*data->data_m1_m2_p3
+  + coeffs->coeff_0_m2_p3*data->data_0_m2_p3
+  + coeffs->coeff_p1_m2_p3*data->data_p1_m2_p3
+  + coeffs->coeff_p2_m2_p3*data->data_p2_m2_p3
+  + coeffs->coeff_p3_m2_p3*data->data_p3_m2_p3
+  + coeffs->coeff_m2_m1_p3*data->data_m2_m1_p3
+  + coeffs->coeff_m1_m1_p3*data->data_m1_m1_p3
+  + coeffs->coeff_0_m1_p3*data->data_0_m1_p3
+  + coeffs->coeff_p1_m1_p3*data->data_p1_m1_p3
+  + coeffs->coeff_p2_m1_p3*data->data_p2_m1_p3
+  + coeffs->coeff_p3_m1_p3*data->data_p3_m1_p3
+  + coeffs->coeff_m2_0_p3*data->data_m2_0_p3
+  + coeffs->coeff_m1_0_p3*data->data_m1_0_p3
+  + coeffs->coeff_0_0_p3*data->data_0_0_p3
+  + coeffs->coeff_p1_0_p3*data->data_p1_0_p3
+  + coeffs->coeff_p2_0_p3*data->data_p2_0_p3
+  + coeffs->coeff_p3_0_p3*data->data_p3_0_p3
+  + coeffs->coeff_m2_p1_p3*data->data_m2_p1_p3
+  + coeffs->coeff_m1_p1_p3*data->data_m1_p1_p3
+  + coeffs->coeff_0_p1_p3*data->data_0_p1_p3
+  + coeffs->coeff_p1_p1_p3*data->data_p1_p1_p3
+  + coeffs->coeff_p2_p1_p3*data->data_p2_p1_p3
+  + coeffs->coeff_p3_p1_p3*data->data_p3_p1_p3
+  + coeffs->coeff_m2_p2_p3*data->data_m2_p2_p3
+  + coeffs->coeff_m1_p2_p3*data->data_m1_p2_p3
+  + coeffs->coeff_0_p2_p3*data->data_0_p2_p3
+  + coeffs->coeff_p1_p2_p3*data->data_p1_p2_p3
+  + coeffs->coeff_p2_p2_p3*data->data_p2_p2_p3
+  + coeffs->coeff_p3_p2_p3*data->data_p3_p2_p3
+  + coeffs->coeff_m2_p3_p3*data->data_m2_p3_p3
+  + coeffs->coeff_m1_p3_p3*data->data_m1_p3_p3
+  + coeffs->coeff_0_p3_p3*data->data_0_p3_p3
+  + coeffs->coeff_p1_p3_p3*data->data_p1_p3_p3
+  + coeffs->coeff_p2_p3_p3*data->data_p2_p3_p3
+  + coeffs->coeff_p3_p3_p3*data->data_p3_p3_p3;
diff --git a/src/common/3d.cube.size6/load-data.c b/src/common/3d.cube.size6/load-data.c
new file mode 100644
index 0000000..7238ef9
--- /dev/null
+++ b/src/common/3d.cube.size6/load-data.c
@@ -0,0 +1,216 @@
+data->data_m2_m2_m2 = DATA(-2,-2,-2);
+data->data_m1_m2_m2 = DATA(-1,-2,-2);
+data->data_0_m2_m2 = DATA(0,-2,-2);
+data->data_p1_m2_m2 = DATA(1,-2,-2);
+data->data_p2_m2_m2 = DATA(2,-2,-2);
+data->data_p3_m2_m2 = DATA(3,-2,-2);
+data->data_m2_m1_m2 = DATA(-2,-1,-2);
+data->data_m1_m1_m2 = DATA(-1,-1,-2);
+data->data_0_m1_m2 = DATA(0,-1,-2);
+data->data_p1_m1_m2 = DATA(1,-1,-2);
+data->data_p2_m1_m2 = DATA(2,-1,-2);
+data->data_p3_m1_m2 = DATA(3,-1,-2);
+data->data_m2_0_m2 = DATA(-2,0,-2);
+data->data_m1_0_m2 = DATA(-1,0,-2);
+data->data_0_0_m2 = DATA(0,0,-2);
+data->data_p1_0_m2 = DATA(1,0,-2);
+data->data_p2_0_m2 = DATA(2,0,-2);
+data->data_p3_0_m2 = DATA(3,0,-2);
+data->data_m2_p1_m2 = DATA(-2,1,-2);
+data->data_m1_p1_m2 = DATA(-1,1,-2);
+data->data_0_p1_m2 = DATA(0,1,-2);
+data->data_p1_p1_m2 = DATA(1,1,-2);
+data->data_p2_p1_m2 = DATA(2,1,-2);
+data->data_p3_p1_m2 = DATA(3,1,-2);
+data->data_m2_p2_m2 = DATA(-2,2,-2);
+data->data_m1_p2_m2 = DATA(-1,2,-2);
+data->data_0_p2_m2 = DATA(0,2,-2);
+data->data_p1_p2_m2 = DATA(1,2,-2);
+data->data_p2_p2_m2 = DATA(2,2,-2);
+data->data_p3_p2_m2 = DATA(3,2,-2);
+data->data_m2_p3_m2 = DATA(-2,3,-2);
+data->data_m1_p3_m2 = DATA(-1,3,-2);
+data->data_0_p3_m2 = DATA(0,3,-2);
+data->data_p1_p3_m2 = DATA(1,3,-2);
+data->data_p2_p3_m2 = DATA(2,3,-2);
+data->data_p3_p3_m2 = DATA(3,3,-2);
+data->data_m2_m2_m1 = DATA(-2,-2,-1);
+data->data_m1_m2_m1 = DATA(-1,-2,-1);
+data->data_0_m2_m1 = DATA(0,-2,-1);
+data->data_p1_m2_m1 = DATA(1,-2,-1);
+data->data_p2_m2_m1 = DATA(2,-2,-1);
+data->data_p3_m2_m1 = DATA(3,-2,-1);
+data->data_m2_m1_m1 = DATA(-2,-1,-1);
+data->data_m1_m1_m1 = DATA(-1,-1,-1);
+data->data_0_m1_m1 = DATA(0,-1,-1);
+data->data_p1_m1_m1 = DATA(1,-1,-1);
+data->data_p2_m1_m1 = DATA(2,-1,-1);
+data->data_p3_m1_m1 = DATA(3,-1,-1);
+data->data_m2_0_m1 = DATA(-2,0,-1);
+data->data_m1_0_m1 = DATA(-1,0,-1);
+data->data_0_0_m1 = DATA(0,0,-1);
+data->data_p1_0_m1 = DATA(1,0,-1);
+data->data_p2_0_m1 = DATA(2,0,-1);
+data->data_p3_0_m1 = DATA(3,0,-1);
+data->data_m2_p1_m1 = DATA(-2,1,-1);
+data->data_m1_p1_m1 = DATA(-1,1,-1);
+data->data_0_p1_m1 = DATA(0,1,-1);
+data->data_p1_p1_m1 = DATA(1,1,-1);
+data->data_p2_p1_m1 = DATA(2,1,-1);
+data->data_p3_p1_m1 = DATA(3,1,-1);
+data->data_m2_p2_m1 = DATA(-2,2,-1);
+data->data_m1_p2_m1 = DATA(-1,2,-1);
+data->data_0_p2_m1 = DATA(0,2,-1);
+data->data_p1_p2_m1 = DATA(1,2,-1);
+data->data_p2_p2_m1 = DATA(2,2,-1);
+data->data_p3_p2_m1 = DATA(3,2,-1);
+data->data_m2_p3_m1 = DATA(-2,3,-1);
+data->data_m1_p3_m1 = DATA(-1,3,-1);
+data->data_0_p3_m1 = DATA(0,3,-1);
+data->data_p1_p3_m1 = DATA(1,3,-1);
+data->data_p2_p3_m1 = DATA(2,3,-1);
+data->data_p3_p3_m1 = DATA(3,3,-1);
+data->data_m2_m2_0 = DATA(-2,-2,0);
+data->data_m1_m2_0 = DATA(-1,-2,0);
+data->data_0_m2_0 = DATA(0,-2,0);
+data->data_p1_m2_0 = DATA(1,-2,0);
+data->data_p2_m2_0 = DATA(2,-2,0);
+data->data_p3_m2_0 = DATA(3,-2,0);
+data->data_m2_m1_0 = DATA(-2,-1,0);
+data->data_m1_m1_0 = DATA(-1,-1,0);
+data->data_0_m1_0 = DATA(0,-1,0);
+data->data_p1_m1_0 = DATA(1,-1,0);
+data->data_p2_m1_0 = DATA(2,-1,0);
+data->data_p3_m1_0 = DATA(3,-1,0);
+data->data_m2_0_0 = DATA(-2,0,0);
+data->data_m1_0_0 = DATA(-1,0,0);
+data->data_0_0_0 = DATA(0,0,0);
+data->data_p1_0_0 = DATA(1,0,0);
+data->data_p2_0_0 = DATA(2,0,0);
+data->data_p3_0_0 = DATA(3,0,0);
+data->data_m2_p1_0 = DATA(-2,1,0);
+data->data_m1_p1_0 = DATA(-1,1,0);
+data->data_0_p1_0 = DATA(0,1,0);
+data->data_p1_p1_0 = DATA(1,1,0);
+data->data_p2_p1_0 = DATA(2,1,0);
+data->data_p3_p1_0 = DATA(3,1,0);
+data->data_m2_p2_0 = DATA(-2,2,0);
+data->data_m1_p2_0 = DATA(-1,2,0);
+data->data_0_p2_0 = DATA(0,2,0);
+data->data_p1_p2_0 = DATA(1,2,0);
+data->data_p2_p2_0 = DATA(2,2,0);
+data->data_p3_p2_0 = DATA(3,2,0);
+data->data_m2_p3_0 = DATA(-2,3,0);
+data->data_m1_p3_0 = DATA(-1,3,0);
+data->data_0_p3_0 = DATA(0,3,0);
+data->data_p1_p3_0 = DATA(1,3,0);
+data->data_p2_p3_0 = DATA(2,3,0);
+data->data_p3_p3_0 = DATA(3,3,0);
+data->data_m2_m2_p1 = DATA(-2,-2,1);
+data->data_m1_m2_p1 = DATA(-1,-2,1);
+data->data_0_m2_p1 = DATA(0,-2,1);
+data->data_p1_m2_p1 = DATA(1,-2,1);
+data->data_p2_m2_p1 = DATA(2,-2,1);
+data->data_p3_m2_p1 = DATA(3,-2,1);
+data->data_m2_m1_p1 = DATA(-2,-1,1);
+data->data_m1_m1_p1 = DATA(-1,-1,1);
+data->data_0_m1_p1 = DATA(0,-1,1);
+data->data_p1_m1_p1 = DATA(1,-1,1);
+data->data_p2_m1_p1 = DATA(2,-1,1);
+data->data_p3_m1_p1 = DATA(3,-1,1);
+data->data_m2_0_p1 = DATA(-2,0,1);
+data->data_m1_0_p1 = DATA(-1,0,1);
+data->data_0_0_p1 = DATA(0,0,1);
+data->data_p1_0_p1 = DATA(1,0,1);
+data->data_p2_0_p1 = DATA(2,0,1);
+data->data_p3_0_p1 = DATA(3,0,1);
+data->data_m2_p1_p1 = DATA(-2,1,1);
+data->data_m1_p1_p1 = DATA(-1,1,1);
+data->data_0_p1_p1 = DATA(0,1,1);
+data->data_p1_p1_p1 = DATA(1,1,1);
+data->data_p2_p1_p1 = DATA(2,1,1);
+data->data_p3_p1_p1 = DATA(3,1,1);
+data->data_m2_p2_p1 = DATA(-2,2,1);
+data->data_m1_p2_p1 = DATA(-1,2,1);
+data->data_0_p2_p1 = DATA(0,2,1);
+data->data_p1_p2_p1 = DATA(1,2,1);
+data->data_p2_p2_p1 = DATA(2,2,1);
+data->data_p3_p2_p1 = DATA(3,2,1);
+data->data_m2_p3_p1 = DATA(-2,3,1);
+data->data_m1_p3_p1 = DATA(-1,3,1);
+data->data_0_p3_p1 = DATA(0,3,1);
+data->data_p1_p3_p1 = DATA(1,3,1);
+data->data_p2_p3_p1 = DATA(2,3,1);
+data->data_p3_p3_p1 = DATA(3,3,1);
+data->data_m2_m2_p2 = DATA(-2,-2,2);
+data->data_m1_m2_p2 = DATA(-1,-2,2);
+data->data_0_m2_p2 = DATA(0,-2,2);
+data->data_p1_m2_p2 = DATA(1,-2,2);
+data->data_p2_m2_p2 = DATA(2,-2,2);
+data->data_p3_m2_p2 = DATA(3,-2,2);
+data->data_m2_m1_p2 = DATA(-2,-1,2);
+data->data_m1_m1_p2 = DATA(-1,-1,2);
+data->data_0_m1_p2 = DATA(0,-1,2);
+data->data_p1_m1_p2 = DATA(1,-1,2);
+data->data_p2_m1_p2 = DATA(2,-1,2);
+data->data_p3_m1_p2 = DATA(3,-1,2);
+data->data_m2_0_p2 = DATA(-2,0,2);
+data->data_m1_0_p2 = DATA(-1,0,2);
+data->data_0_0_p2 = DATA(0,0,2);
+data->data_p1_0_p2 = DATA(1,0,2);
+data->data_p2_0_p2 = DATA(2,0,2);
+data->data_p3_0_p2 = DATA(3,0,2);
+data->data_m2_p1_p2 = DATA(-2,1,2);
+data->data_m1_p1_p2 = DATA(-1,1,2);
+data->data_0_p1_p2 = DATA(0,1,2);
+data->data_p1_p1_p2 = DATA(1,1,2);
+data->data_p2_p1_p2 = DATA(2,1,2);
+data->data_p3_p1_p2 = DATA(3,1,2);
+data->data_m2_p2_p2 = DATA(-2,2,2);
+data->data_m1_p2_p2 = DATA(-1,2,2);
+data->data_0_p2_p2 = DATA(0,2,2);
+data->data_p1_p2_p2 = DATA(1,2,2);
+data->data_p2_p2_p2 = DATA(2,2,2);
+data->data_p3_p2_p2 = DATA(3,2,2);
+data->data_m2_p3_p2 = DATA(-2,3,2);
+data->data_m1_p3_p2 = DATA(-1,3,2);
+data->data_0_p3_p2 = DATA(0,3,2);
+data->data_p1_p3_p2 = DATA(1,3,2);
+data->data_p2_p3_p2 = DATA(2,3,2);
+data->data_p3_p3_p2 = DATA(3,3,2);
+data->data_m2_m2_p3 = DATA(-2,-2,3);
+data->data_m1_m2_p3 = DATA(-1,-2,3);
+data->data_0_m2_p3 = DATA(0,-2,3);
+data->data_p1_m2_p3 = DATA(1,-2,3);
+data->data_p2_m2_p3 = DATA(2,-2,3);
+data->data_p3_m2_p3 = DATA(3,-2,3);
+data->data_m2_m1_p3 = DATA(-2,-1,3);
+data->data_m1_m1_p3 = DATA(-1,-1,3);
+data->data_0_m1_p3 = DATA(0,-1,3);
+data->data_p1_m1_p3 = DATA(1,-1,3);
+data->data_p2_m1_p3 = DATA(2,-1,3);
+data->data_p3_m1_p3 = DATA(3,-1,3);
+data->data_m2_0_p3 = DATA(-2,0,3);
+data->data_m1_0_p3 = DATA(-1,0,3);
+data->data_0_0_p3 = DATA(0,0,3);
+data->data_p1_0_p3 = DATA(1,0,3);
+data->data_p2_0_p3 = DATA(2,0,3);
+data->data_p3_0_p3 = DATA(3,0,3);
+data->data_m2_p1_p3 = DATA(-2,1,3);
+data->data_m1_p1_p3 = DATA(-1,1,3);
+data->data_0_p1_p3 = DATA(0,1,3);
+data->data_p1_p1_p3 = DATA(1,1,3);
+data->data_p2_p1_p3 = DATA(2,1,3);
+data->data_p3_p1_p3 = DATA(3,1,3);
+data->data_m2_p2_p3 = DATA(-2,2,3);
+data->data_m1_p2_p3 = DATA(-1,2,3);
+data->data_0_p2_p3 = DATA(0,2,3);
+data->data_p1_p2_p3 = DATA(1,2,3);
+data->data_p2_p2_p3 = DATA(2,2,3);
+data->data_p3_p2_p3 = DATA(3,2,3);
+data->data_m2_p3_p3 = DATA(-2,3,3);
+data->data_m1_p3_p3 = DATA(-1,3,3);
+data->data_0_p3_p3 = DATA(0,3,3);
+data->data_p1_p3_p3 = DATA(1,3,3);
+data->data_p2_p3_p3 = DATA(2,3,3);
+data->data_p3_p3_p3 = DATA(3,3,3);
diff --git a/src/common/3d.cube.size6/store-coeffs.c b/src/common/3d.cube.size6/store-coeffs.c
new file mode 100644
index 0000000..301292b
--- /dev/null
+++ b/src/common/3d.cube.size6/store-coeffs.c
@@ -0,0 +1,216 @@
+COEFF(-2,-2,-2) = factor * coeffs->coeff_m2_m2_m2;
+COEFF(-1,-2,-2) = factor * coeffs->coeff_m1_m2_m2;
+COEFF(0,-2,-2) = factor * coeffs->coeff_0_m2_m2;
+COEFF(1,-2,-2) = factor * coeffs->coeff_p1_m2_m2;
+COEFF(2,-2,-2) = factor * coeffs->coeff_p2_m2_m2;
+COEFF(3,-2,-2) = factor * coeffs->coeff_p3_m2_m2;
+COEFF(-2,-1,-2) = factor * coeffs->coeff_m2_m1_m2;
+COEFF(-1,-1,-2) = factor * coeffs->coeff_m1_m1_m2;
+COEFF(0,-1,-2) = factor * coeffs->coeff_0_m1_m2;
+COEFF(1,-1,-2) = factor * coeffs->coeff_p1_m1_m2;
+COEFF(2,-1,-2) = factor * coeffs->coeff_p2_m1_m2;
+COEFF(3,-1,-2) = factor * coeffs->coeff_p3_m1_m2;
+COEFF(-2,0,-2) = factor * coeffs->coeff_m2_0_m2;
+COEFF(-1,0,-2) = factor * coeffs->coeff_m1_0_m2;
+COEFF(0,0,-2) = factor * coeffs->coeff_0_0_m2;
+COEFF(1,0,-2) = factor * coeffs->coeff_p1_0_m2;
+COEFF(2,0,-2) = factor * coeffs->coeff_p2_0_m2;
+COEFF(3,0,-2) = factor * coeffs->coeff_p3_0_m2;
+COEFF(-2,1,-2) = factor * coeffs->coeff_m2_p1_m2;
+COEFF(-1,1,-2) = factor * coeffs->coeff_m1_p1_m2;
+COEFF(0,1,-2) = factor * coeffs->coeff_0_p1_m2;
+COEFF(1,1,-2) = factor * coeffs->coeff_p1_p1_m2;
+COEFF(2,1,-2) = factor * coeffs->coeff_p2_p1_m2;
+COEFF(3,1,-2) = factor * coeffs->coeff_p3_p1_m2;
+COEFF(-2,2,-2) = factor * coeffs->coeff_m2_p2_m2;
+COEFF(-1,2,-2) = factor * coeffs->coeff_m1_p2_m2;
+COEFF(0,2,-2) = factor * coeffs->coeff_0_p2_m2;
+COEFF(1,2,-2) = factor * coeffs->coeff_p1_p2_m2;
+COEFF(2,2,-2) = factor * coeffs->coeff_p2_p2_m2;
+COEFF(3,2,-2) = factor * coeffs->coeff_p3_p2_m2;
+COEFF(-2,3,-2) = factor * coeffs->coeff_m2_p3_m2;
+COEFF(-1,3,-2) = factor * coeffs->coeff_m1_p3_m2;
+COEFF(0,3,-2) = factor * coeffs->coeff_0_p3_m2;
+COEFF(1,3,-2) = factor * coeffs->coeff_p1_p3_m2;
+COEFF(2,3,-2) = factor * coeffs->coeff_p2_p3_m2;
+COEFF(3,3,-2) = factor * coeffs->coeff_p3_p3_m2;
+COEFF(-2,-2,-1) = factor * coeffs->coeff_m2_m2_m1;
+COEFF(-1,-2,-1) = factor * coeffs->coeff_m1_m2_m1;
+COEFF(0,-2,-1) = factor * coeffs->coeff_0_m2_m1;
+COEFF(1,-2,-1) = factor * coeffs->coeff_p1_m2_m1;
+COEFF(2,-2,-1) = factor * coeffs->coeff_p2_m2_m1;
+COEFF(3,-2,-1) = factor * coeffs->coeff_p3_m2_m1;
+COEFF(-2,-1,-1) = factor * coeffs->coeff_m2_m1_m1;
+COEFF(-1,-1,-1) = factor * coeffs->coeff_m1_m1_m1;
+COEFF(0,-1,-1) = factor * coeffs->coeff_0_m1_m1;
+COEFF(1,-1,-1) = factor * coeffs->coeff_p1_m1_m1;
+COEFF(2,-1,-1) = factor * coeffs->coeff_p2_m1_m1;
+COEFF(3,-1,-1) = factor * coeffs->coeff_p3_m1_m1;
+COEFF(-2,0,-1) = factor * coeffs->coeff_m2_0_m1;
+COEFF(-1,0,-1) = factor * coeffs->coeff_m1_0_m1;
+COEFF(0,0,-1) = factor * coeffs->coeff_0_0_m1;
+COEFF(1,0,-1) = factor * coeffs->coeff_p1_0_m1;
+COEFF(2,0,-1) = factor * coeffs->coeff_p2_0_m1;
+COEFF(3,0,-1) = factor * coeffs->coeff_p3_0_m1;
+COEFF(-2,1,-1) = factor * coeffs->coeff_m2_p1_m1;
+COEFF(-1,1,-1) = factor * coeffs->coeff_m1_p1_m1;
+COEFF(0,1,-1) = factor * coeffs->coeff_0_p1_m1;
+COEFF(1,1,-1) = factor * coeffs->coeff_p1_p1_m1;
+COEFF(2,1,-1) = factor * coeffs->coeff_p2_p1_m1;
+COEFF(3,1,-1) = factor * coeffs->coeff_p3_p1_m1;
+COEFF(-2,2,-1) = factor * coeffs->coeff_m2_p2_m1;
+COEFF(-1,2,-1) = factor * coeffs->coeff_m1_p2_m1;
+COEFF(0,2,-1) = factor * coeffs->coeff_0_p2_m1;
+COEFF(1,2,-1) = factor * coeffs->coeff_p1_p2_m1;
+COEFF(2,2,-1) = factor * coeffs->coeff_p2_p2_m1;
+COEFF(3,2,-1) = factor * coeffs->coeff_p3_p2_m1;
+COEFF(-2,3,-1) = factor * coeffs->coeff_m2_p3_m1;
+COEFF(-1,3,-1) = factor * coeffs->coeff_m1_p3_m1;
+COEFF(0,3,-1) = factor * coeffs->coeff_0_p3_m1;
+COEFF(1,3,-1) = factor * coeffs->coeff_p1_p3_m1;
+COEFF(2,3,-1) = factor * coeffs->coeff_p2_p3_m1;
+COEFF(3,3,-1) = factor * coeffs->coeff_p3_p3_m1;
+COEFF(-2,-2,0) = factor * coeffs->coeff_m2_m2_0;
+COEFF(-1,-2,0) = factor * coeffs->coeff_m1_m2_0;
+COEFF(0,-2,0) = factor * coeffs->coeff_0_m2_0;
+COEFF(1,-2,0) = factor * coeffs->coeff_p1_m2_0;
+COEFF(2,-2,0) = factor * coeffs->coeff_p2_m2_0;
+COEFF(3,-2,0) = factor * coeffs->coeff_p3_m2_0;
+COEFF(-2,-1,0) = factor * coeffs->coeff_m2_m1_0;
+COEFF(-1,-1,0) = factor * coeffs->coeff_m1_m1_0;
+COEFF(0,-1,0) = factor * coeffs->coeff_0_m1_0;
+COEFF(1,-1,0) = factor * coeffs->coeff_p1_m1_0;
+COEFF(2,-1,0) = factor * coeffs->coeff_p2_m1_0;
+COEFF(3,-1,0) = factor * coeffs->coeff_p3_m1_0;
+COEFF(-2,0,0) = factor * coeffs->coeff_m2_0_0;
+COEFF(-1,0,0) = factor * coeffs->coeff_m1_0_0;
+COEFF(0,0,0) = factor * coeffs->coeff_0_0_0;
+COEFF(1,0,0) = factor * coeffs->coeff_p1_0_0;
+COEFF(2,0,0) = factor * coeffs->coeff_p2_0_0;
+COEFF(3,0,0) = factor * coeffs->coeff_p3_0_0;
+COEFF(-2,1,0) = factor * coeffs->coeff_m2_p1_0;
+COEFF(-1,1,0) = factor * coeffs->coeff_m1_p1_0;
+COEFF(0,1,0) = factor * coeffs->coeff_0_p1_0;
+COEFF(1,1,0) = factor * coeffs->coeff_p1_p1_0;
+COEFF(2,1,0) = factor * coeffs->coeff_p2_p1_0;
+COEFF(3,1,0) = factor * coeffs->coeff_p3_p1_0;
+COEFF(-2,2,0) = factor * coeffs->coeff_m2_p2_0;
+COEFF(-1,2,0) = factor * coeffs->coeff_m1_p2_0;
+COEFF(0,2,0) = factor * coeffs->coeff_0_p2_0;
+COEFF(1,2,0) = factor * coeffs->coeff_p1_p2_0;
+COEFF(2,2,0) = factor * coeffs->coeff_p2_p2_0;
+COEFF(3,2,0) = factor * coeffs->coeff_p3_p2_0;
+COEFF(-2,3,0) = factor * coeffs->coeff_m2_p3_0;
+COEFF(-1,3,0) = factor * coeffs->coeff_m1_p3_0;
+COEFF(0,3,0) = factor * coeffs->coeff_0_p3_0;
+COEFF(1,3,0) = factor * coeffs->coeff_p1_p3_0;
+COEFF(2,3,0) = factor * coeffs->coeff_p2_p3_0;
+COEFF(3,3,0) = factor * coeffs->coeff_p3_p3_0;
+COEFF(-2,-2,1) = factor * coeffs->coeff_m2_m2_p1;
+COEFF(-1,-2,1) = factor * coeffs->coeff_m1_m2_p1;
+COEFF(0,-2,1) = factor * coeffs->coeff_0_m2_p1;
+COEFF(1,-2,1) = factor * coeffs->coeff_p1_m2_p1;
+COEFF(2,-2,1) = factor * coeffs->coeff_p2_m2_p1;
+COEFF(3,-2,1) = factor * coeffs->coeff_p3_m2_p1;
+COEFF(-2,-1,1) = factor * coeffs->coeff_m2_m1_p1;
+COEFF(-1,-1,1) = factor * coeffs->coeff_m1_m1_p1;
+COEFF(0,-1,1) = factor * coeffs->coeff_0_m1_p1;
+COEFF(1,-1,1) = factor * coeffs->coeff_p1_m1_p1;
+COEFF(2,-1,1) = factor * coeffs->coeff_p2_m1_p1;
+COEFF(3,-1,1) = factor * coeffs->coeff_p3_m1_p1;
+COEFF(-2,0,1) = factor * coeffs->coeff_m2_0_p1;
+COEFF(-1,0,1) = factor * coeffs->coeff_m1_0_p1;
+COEFF(0,0,1) = factor * coeffs->coeff_0_0_p1;
+COEFF(1,0,1) = factor * coeffs->coeff_p1_0_p1;
+COEFF(2,0,1) = factor * coeffs->coeff_p2_0_p1;
+COEFF(3,0,1) = factor * coeffs->coeff_p3_0_p1;
+COEFF(-2,1,1) = factor * coeffs->coeff_m2_p1_p1;
+COEFF(-1,1,1) = factor * coeffs->coeff_m1_p1_p1;
+COEFF(0,1,1) = factor * coeffs->coeff_0_p1_p1;
+COEFF(1,1,1) = factor * coeffs->coeff_p1_p1_p1;
+COEFF(2,1,1) = factor * coeffs->coeff_p2_p1_p1;
+COEFF(3,1,1) = factor * coeffs->coeff_p3_p1_p1;
+COEFF(-2,2,1) = factor * coeffs->coeff_m2_p2_p1;
+COEFF(-1,2,1) = factor * coeffs->coeff_m1_p2_p1;
+COEFF(0,2,1) = factor * coeffs->coeff_0_p2_p1;
+COEFF(1,2,1) = factor * coeffs->coeff_p1_p2_p1;
+COEFF(2,2,1) = factor * coeffs->coeff_p2_p2_p1;
+COEFF(3,2,1) = factor * coeffs->coeff_p3_p2_p1;
+COEFF(-2,3,1) = factor * coeffs->coeff_m2_p3_p1;
+COEFF(-1,3,1) = factor * coeffs->coeff_m1_p3_p1;
+COEFF(0,3,1) = factor * coeffs->coeff_0_p3_p1;
+COEFF(1,3,1) = factor * coeffs->coeff_p1_p3_p1;
+COEFF(2,3,1) = factor * coeffs->coeff_p2_p3_p1;
+COEFF(3,3,1) = factor * coeffs->coeff_p3_p3_p1;
+COEFF(-2,-2,2) = factor * coeffs->coeff_m2_m2_p2;
+COEFF(-1,-2,2) = factor * coeffs->coeff_m1_m2_p2;
+COEFF(0,-2,2) = factor * coeffs->coeff_0_m2_p2;
+COEFF(1,-2,2) = factor * coeffs->coeff_p1_m2_p2;
+COEFF(2,-2,2) = factor * coeffs->coeff_p2_m2_p2;
+COEFF(3,-2,2) = factor * coeffs->coeff_p3_m2_p2;
+COEFF(-2,-1,2) = factor * coeffs->coeff_m2_m1_p2;
+COEFF(-1,-1,2) = factor * coeffs->coeff_m1_m1_p2;
+COEFF(0,-1,2) = factor * coeffs->coeff_0_m1_p2;
+COEFF(1,-1,2) = factor * coeffs->coeff_p1_m1_p2;
+COEFF(2,-1,2) = factor * coeffs->coeff_p2_m1_p2;
+COEFF(3,-1,2) = factor * coeffs->coeff_p3_m1_p2;
+COEFF(-2,0,2) = factor * coeffs->coeff_m2_0_p2;
+COEFF(-1,0,2) = factor * coeffs->coeff_m1_0_p2;
+COEFF(0,0,2) = factor * coeffs->coeff_0_0_p2;
+COEFF(1,0,2) = factor * coeffs->coeff_p1_0_p2;
+COEFF(2,0,2) = factor * coeffs->coeff_p2_0_p2;
+COEFF(3,0,2) = factor * coeffs->coeff_p3_0_p2;
+COEFF(-2,1,2) = factor * coeffs->coeff_m2_p1_p2;
+COEFF(-1,1,2) = factor * coeffs->coeff_m1_p1_p2;
+COEFF(0,1,2) = factor * coeffs->coeff_0_p1_p2;
+COEFF(1,1,2) = factor * coeffs->coeff_p1_p1_p2;
+COEFF(2,1,2) = factor * coeffs->coeff_p2_p1_p2;
+COEFF(3,1,2) = factor * coeffs->coeff_p3_p1_p2;
+COEFF(-2,2,2) = factor * coeffs->coeff_m2_p2_p2;
+COEFF(-1,2,2) = factor * coeffs->coeff_m1_p2_p2;
+COEFF(0,2,2) = factor * coeffs->coeff_0_p2_p2;
+COEFF(1,2,2) = factor * coeffs->coeff_p1_p2_p2;
+COEFF(2,2,2) = factor * coeffs->coeff_p2_p2_p2;
+COEFF(3,2,2) = factor * coeffs->coeff_p3_p2_p2;
+COEFF(-2,3,2) = factor * coeffs->coeff_m2_p3_p2;
+COEFF(-1,3,2) = factor * coeffs->coeff_m1_p3_p2;
+COEFF(0,3,2) = factor * coeffs->coeff_0_p3_p2;
+COEFF(1,3,2) = factor * coeffs->coeff_p1_p3_p2;
+COEFF(2,3,2) = factor * coeffs->coeff_p2_p3_p2;
+COEFF(3,3,2) = factor * coeffs->coeff_p3_p3_p2;
+COEFF(-2,-2,3) = factor * coeffs->coeff_m2_m2_p3;
+COEFF(-1,-2,3) = factor * coeffs->coeff_m1_m2_p3;
+COEFF(0,-2,3) = factor * coeffs->coeff_0_m2_p3;
+COEFF(1,-2,3) = factor * coeffs->coeff_p1_m2_p3;
+COEFF(2,-2,3) = factor * coeffs->coeff_p2_m2_p3;
+COEFF(3,-2,3) = factor * coeffs->coeff_p3_m2_p3;
+COEFF(-2,-1,3) = factor * coeffs->coeff_m2_m1_p3;
+COEFF(-1,-1,3) = factor * coeffs->coeff_m1_m1_p3;
+COEFF(0,-1,3) = factor * coeffs->coeff_0_m1_p3;
+COEFF(1,-1,3) = factor * coeffs->coeff_p1_m1_p3;
+COEFF(2,-1,3) = factor * coeffs->coeff_p2_m1_p3;
+COEFF(3,-1,3) = factor * coeffs->coeff_p3_m1_p3;
+COEFF(-2,0,3) = factor * coeffs->coeff_m2_0_p3;
+COEFF(-1,0,3) = factor * coeffs->coeff_m1_0_p3;
+COEFF(0,0,3) = factor * coeffs->coeff_0_0_p3;
+COEFF(1,0,3) = factor * coeffs->coeff_p1_0_p3;
+COEFF(2,0,3) = factor * coeffs->coeff_p2_0_p3;
+COEFF(3,0,3) = factor * coeffs->coeff_p3_0_p3;
+COEFF(-2,1,3) = factor * coeffs->coeff_m2_p1_p3;
+COEFF(-1,1,3) = factor * coeffs->coeff_m1_p1_p3;
+COEFF(0,1,3) = factor * coeffs->coeff_0_p1_p3;
+COEFF(1,1,3) = factor * coeffs->coeff_p1_p1_p3;
+COEFF(2,1,3) = factor * coeffs->coeff_p2_p1_p3;
+COEFF(3,1,3) = factor * coeffs->coeff_p3_p1_p3;
+COEFF(-2,2,3) = factor * coeffs->coeff_m2_p2_p3;
+COEFF(-1,2,3) = factor * coeffs->coeff_m1_p2_p3;
+COEFF(0,2,3) = factor * coeffs->coeff_0_p2_p3;
+COEFF(1,2,3) = factor * coeffs->coeff_p1_p2_p3;
+COEFF(2,2,3) = factor * coeffs->coeff_p2_p2_p3;
+COEFF(3,2,3) = factor * coeffs->coeff_p3_p2_p3;
+COEFF(-2,3,3) = factor * coeffs->coeff_m2_p3_p3;
+COEFF(-1,3,3) = factor * coeffs->coeff_m1_p3_p3;
+COEFF(0,3,3) = factor * coeffs->coeff_0_p3_p3;
+COEFF(1,3,3) = factor * coeffs->coeff_p1_p3_p3;
+COEFF(2,3,3) = factor * coeffs->coeff_p2_p3_p3;
+COEFF(3,3,3) = factor * coeffs->coeff_p3_p3_p3;
diff --git a/src/common/3d.log b/src/common/3d.log
new file mode 100644
index 0000000..fb21e89
--- /dev/null
+++ b/src/common/3d.log
@@ -0,0 +1,1888 @@
+    |\^/|     Maple 7 (IBM INTEL LINUX)
+._|\|   |/|_. Copyright (c) 2001 by Waterloo Maple Inc.
+ \  MAPLE  /  All rights reserved. Maple is a registered trademark of
+ <____ ____>  Waterloo Maple Inc.
+      |       Type ? for help.
+# util.maple -- misc utility routines
+# $Header$
+> 
+#
+# fix_rationals - convert numbers to RATIONAL() calls
+# nonmatching_names - find names in a list which *don't* have a specified prefix
+# sprint_numeric_list - convert a numeric list to a valid C identifier suffix
+# print_name_list_dcl - print C declarations for a list of names
+#
+# hypercube_points - compute all (integer) points in an N-dimensional hypercube
+#
+# ftruncate - truncate a file to zero length
+#
+> 
+################################################################################
+################################################################################
+################################################################################
+> 
+#
+# This function converts all {integer, rational} subexpressions of its
+# input except integer exponents and -1 factors in products, into function
+# calls
+#	RATIONAL(num,den)
+# This is useful in conjunction with the  C() library function, since
+#
+#	C( (1/3) * foo * bar )
+#		t0 = foo*bar/3;
+#
+# generates a (slow) division (and runs the risk of mixed-mode-arithmetic
+# problems), while
+#
+#	C((1.0/3.0) * foo * bar);
+#	     t0 = 0.3333333333*foo*bar;
+#
+# suffers from roundoff error.  With this function,
+#
+#	fix_rationals((1/3) * foo * bar);
+#	     RATIONAL(1,3) foo bar
+#	C(%);
+#	     t0 = RATIONAL(1.0,3.0)*foo*bar;
+#
+# which a C preprocessor macro can easily convert to the desired
+#
+#	     t0 = (1.0/3.0)*foo*bar;
+#
+# Additionally, this function can be told to leave certain types of
+# subexpressions unconverged.  For example,
+#	fix_rationals(expr, type, specfunc(integer, DATA));
+# will leave all subexpressions of the form  DATA(integer arguments)
+# unconverted.
+#
+# Arguments:
+# expr = (in) The expression to be converted.
+# inert_fn = (optional in)
+#	     If specified, this argument should be a Boolean procedure
+#	     or the name of a Boolean procedure.  This procedure should
+#	     take one or more argument, and return true if and only if
+#	     the first argument should *not* be converted, i.e. if we
+#	     should leave this expression unchanged.  See the last
+#	     example above.
+# ... = (optional in)
+#	Any further arguments are passed as additional arguments to
+#	the inert_fn procedure.
+#
+> fix_rationals :=
+> proc(
+>     expr::{
+> 	        algebraic, name = algebraic,
+> 	  list({algebraic, name = algebraic}),
+> 	  set ({algebraic, name = algebraic})
+> 	  },
+>     inert_fn::{name, procedure}
+>     )
+> local nn, k,
+>       base, power, fbase, fpower,
+>       fn, fn_args_list,
+>       num, den, mult;
+> 
+# do we want to convert this expression?
+> if ((nargs >= 2) and inert_fn(expr, args[3..nargs]))
+>    then return expr;
+> end if;
+> 
+# recurse over lists and sets
+> if (type(expr, {list,set}))
+>    then return map(fix_rationals, expr, args[2..nargs]);
+> end if;
+> 
+# recurse over equation right hand sides
+> if (type(expr, name = algebraic))
+>    then return ( lhs(expr) = fix_rationals(rhs(expr), args[2..nargs]) );
+> end if;
+> 
+# recurse over functions other than  RATIONAL()
+> if (type(expr, function))
+>    then
+> 	fn := op(0, expr);
+> 	if (fn <> 'RATIONAL')
+> 	   then
+> 		fn_args_list := [op(expr)];
+> 		fn_args_list := map(fix_rationals, fn_args_list, args[2..nargs]);
+> 		fn; return '%'( op(fn_args_list) );
+> 	end if;
+> end if;
+> 
+> nn := nops(expr);
+> 
+# recurse over sums
+> if (type(expr, `+`))
+>    then return sum('fix_rationals(op(k,expr), args[2..nargs])', 'k'=1..nn);
+> end if;
+> 
+# recurse over products
+# ... leaving leading -1 factors intact, i.e. not converted to RATIONAL(-1,1)
+> if (type(expr, `*`))
+>    then
+> 	if (op(1, expr) = -1)
+> 	   then return -1*fix_rationals(remove(type, expr, 'identical(-1)'),
+> 				        args[2..nargs]);
+> 	   else return product('fix_rationals(op(k,expr), args[2..nargs])',
+> 			       'k'=1..nn);
+> 	end if;
+> end if;
+> 
+# recurse over powers
+# ... leaving integer exponents intact
+> if (type(expr, `^`))
+>    then
+> 	base := op(1, expr);
+> 	power := op(2, expr);
+> 
+> 	fbase := fix_rationals(base, args[2..nargs]);
+> 	if (type(power, integer))
+> 	   then fpower := power;
+> 	   else fpower := fix_rationals(power, args[2..nargs]);
+> 	end if;
+> 	return fbase ^ fpower;
+> end if;
+> 
+# fix integers and fractions
+> if (type(expr, integer))
+>    then return 'RATIONAL'(expr, 1);
+> end if;
+> if (type(expr, fraction))
+>    then
+> 	num := op(1, expr);
+> 	den := op(2, expr);
+> 
+> 	return 'RATIONAL'(num, den);
+> end if;
+> 
+# turn Maple floating-point into integer fraction, then recursively fix that
+> if (type(expr, float))
+>    then
+> 	mult := op(1, expr);
+> 	power := op(2, expr);
+> 	return fix_rationals(mult * 10^power, args[2..nargs]);
+> end if;
+> 
+# identity op on names
+> if (type(expr, name))
+>    then return expr;
+> end if;
+> 
+# unknown type
+> error "%0",
+>       "unknown type for expr!",
+>       "   whattype(expr) = ", whattype(expr),
+>       "   expr = ", expr;
+> end proc;
+fix_rationals := proc(expr::{algebraic, name = algebraic,
+list({algebraic, name = algebraic}), set({algebraic, name = algebraic})},
+inert_fn::{procedure, name})
+local nn, k, base, power, fbase, fpower, fn, fn_args_list, num, den, mult;
+    if 2 <= nargs and inert_fn(expr, args[3 .. nargs]) then return expr
+    end if;
+    if type(expr, {set, list}) then
+        return map(fix_rationals, expr, args[2 .. nargs])
+    end if;
+    if type(expr, name = algebraic) then
+        return lhs(expr) = fix_rationals(rhs(expr), args[2 .. nargs])
+    end if;
+    if type(expr, function) then
+        fn := op(0, expr);
+        if fn <> 'RATIONAL' then
+            fn_args_list := [op(expr)];
+            fn_args_list :=
+                map(fix_rationals, fn_args_list, args[2 .. nargs]);
+            fn;
+            return '%'(op(fn_args_list))
+        end if
+    end if;
+    nn := nops(expr);
+    if type(expr, `+`) then return
+        sum('fix_rationals(op(k, expr), args[2 .. nargs])', 'k' = 1 .. nn)
+    end if;
+    if type(expr, `*`) then
+        if op(1, expr) = -1 then return -fix_rationals(
+            remove(type, expr, 'identical(-1)'), args[2 .. nargs])
+        else return product('fix_rationals(op(k, expr), args[2 .. nargs])',
+            'k' = 1 .. nn)
+        end if
+    end if;
+    if type(expr, `^`) then
+        base := op(1, expr);
+        power := op(2, expr);
+        fbase := fix_rationals(base, args[2 .. nargs]);
+        if type(power, integer) then fpower := power
+        else fpower := fix_rationals(power, args[2 .. nargs])
+        end if;
+        return fbase^fpower
+    end if;
+    if type(expr, integer) then return 'RATIONAL'(expr, 1) end if;
+    if type(expr, fraction) then
+        num := op(1, expr); den := op(2, expr); return 'RATIONAL'(num, den)
+    end if;
+    if type(expr, float) then
+        mult := op(1, expr);
+        power := op(2, expr);
+        return fix_rationals(mult*10^power, args[2 .. nargs])
+    end if;
+    if type(expr, name) then return expr end if;
+    error "%0", "unknown type for expr!", "   whattype(expr) = ",
+        whattype(expr), "   expr = ", expr
+end proc
+
+> 
+################################################################################
+> 
+#
+# This function finds names in a list which *don't* have a specified prefix.
+#
+# Arguments:
+# name_list = A list of the names.
+# prefix = The prefix we want to filter out.
+#
+# Results:
+# This function returns the subset list of names which don't have the
+# specified prefix.
+# 
+> nonmatching_names :=
+> proc( name_list::list({name,string}), prefix::{name,string} )
+> 
+> select(   proc(n)
+> 	  evalb(not StringTools[IsPrefix](prefix,n));
+> 	  end proc
+> 	,
+> 	  name_list
+>       );
+> end proc;
+nonmatching_names := proc(
+name_list::list({name, string}), prefix::{name, string})
+    select(proc(n) evalb(not StringTools[IsPrefix](prefix, n)) end proc,
+    name_list)
+end proc
+
+> 
+################################################################################
+> 
+#
+# This function converts a numeric list to a string which is a valid
+# C identifier suffix: elements are separated by "_", decimal points are
+# replaced by "x", and all nonzero values have explicit +/- signs, which
+# are replaced by "p"/"m".
+#
+# For example, [0,-3.5,+4] --> "0_m3x5_p4".
+#
+> sprint_numeric_list :=
+> proc(nlist::list(numeric))
+> 
+# generate preliminary string, eg "+0_-3.5_+4"
+> map2(sprintf, "%+a", nlist);
+> ListTools[Join](%, "_");
+> cat(op(%));
+> 
+# fixup bad characters
+> StringTools[SubstituteAll](%, "+0", "0");
+> StringTools[CharacterMap](".+-", "xpm", %);
+> 
+> return %;
+> end proc;
+sprint_numeric_list := proc(nlist::list(numeric))
+    map2(sprintf, "%+a", nlist);
+    ListTools[Join](%, "_");
+    cat(op(%));
+    StringTools[SubstituteAll](%, "+0", "0");
+    StringTools[CharacterMap](".+-", "xpm", %);
+    return %
+end proc
+
+> 
+################################################################################
+> 
+#
+# This function prints a sequence of C declarations for a list of names.
+#
+# Argument:
+# name_list = A list of the names.
+# type_name = The C type of the names, eg. "double".
+# file_name = The file name to write the declaration to.  This is
+#	      truncated before writing.
+#
+> print_name_list_dcl :=
+> proc( name_list::list({name,string}),
+>       type_name::string,
+>       file_name::string )
+> local blanks, separator_string;
+> 
+> ftruncate(file_name);
+> 
+> map(
+>        proc(var::{name,string})
+>        fprintf(file_name,
+> 	       "%s %s;\n", 
+> 	       type_name, var);
+>        end proc
+>      ,
+>        name_list
+>    );
+> 
+> fclose(file_name);
+> NULL;
+> end proc;
+print_name_list_dcl := proc(
+name_list::list({name, string}), type_name::string, file_name::string)
+local blanks, separator_string;
+    ftruncate(file_name);
+    map(proc(var::{name, string})
+            fprintf(file_name, "%s %s;\n", type_name, var)
+        end proc, name_list);
+    fclose(file_name);
+    NULL
+end proc
+
+> 
+################################################################################
+################################################################################
+################################################################################
+> 
+#
+# This function computes a list of all the (integer) points in an
+# N-dimensional hypercube, in lexicographic order.  The present
+# implementation requires N <= 4.
+#
+# Arguments:
+# cmin,cmax = N-element lists of cube minimum/maximum coordinates.
+#
+# Results:
+# The function returns a set of d-element lists giving the coordinates.
+# For example,
+#	hypercube([0,0], [2,1]
+# returns
+#	{ [0,0], [0,1], [1,0], [1,1], [2,0], [2,1] }
+> hypercube_points :=
+> proc(cmin::list(integer), cmax::list(integer))
+> local N, i,j,k,l;
+> 
+> N := nops(cmin);
+> if (nops(cmax) <> N)
+>    then error 
+> 	"must have same number of dimensions for min and max coordinates!";
+> fi;
+> 
+> if   (N = 1)
+>    then return [seq([i], i=cmin[1]..cmax[1])];
+> elif (N = 2)
+>    then return [
+> 		 seq(
+> 		   seq([i,j], j=cmin[2]..cmax[2]),
+> 		   i=cmin[1]..cmax[1])
+> 	       ];
+> elif (N = 3)
+>    then return [
+> 		 seq(
+> 		   seq(
+> 		     seq([i,j,k], k=cmin[3]..cmax[3]),
+> 		     j=cmin[2]..cmax[2] ),
+> 		   i=cmin[1]..cmax[1])
+> 	       ];
+> elif (N = 4)
+>    then return [
+> 		 seq(
+> 		   seq(
+> 		     seq(
+> 		       seq([i,j,k,l], l=cmin[4]..cmax[4]),
+> 		       k=cmin[3]..cmax[3] ),
+> 		     j=cmin[2]..cmax[2]),
+> 		   i=cmin[1]..cmax[1])
+> 	       ];
+> else
+> 	error "implementation restriction: must have N <= 4, got %1!", N;
+> fi;
+> end proc;
+hypercube_points := proc(cmin::list(integer), cmax::list(integer))
+local N, i, j, k, l;
+    N := nops(cmin);
+    if nops(cmax) <> N then error
+        "must have same number of dimensions for min and max coordinates!"
+    end if;
+    if N = 1 then return [seq([i], i = cmin[1] .. cmax[1])]
+    elif N = 2 then return
+        [seq(seq([i, j], j = cmin[2] .. cmax[2]), i = cmin[1] .. cmax[1])]
+    elif N = 3 then return [seq(
+        seq(seq([i, j, k], k = cmin[3] .. cmax[3]), j = cmin[2] .. cmax[2])
+        , i = cmin[1] .. cmax[1])]
+    elif N = 4 then return [seq(seq(seq(
+        seq([i, j, k, l], l = cmin[4] .. cmax[4]), k = cmin[3] .. cmax[3]),
+        j = cmin[2] .. cmax[2]), i = cmin[1] .. cmax[1])]
+    else error "implementation restriction: must have N <= 4, got %1!", N
+    end if
+end proc
+
+> 
+################################################################################
+################################################################################
+################################################################################
+> 
+#
+# This function truncates a file to 0 length if it exists, or creates
+# it at that length if it doesn't exist.
+#
+# Arguments:
+# file_name = (in) The name of the file.
+#
+> ftruncate :=
+> proc(file_name::string)
+> fopen(file_name, 'WRITE');
+> fclose(%);
+> NULL;
+> end proc;
+ftruncate :=
+
+    proc(file_name::string) fopen(file_name, 'WRITE'); fclose(%); NULL end proc
+
+# interpolate.maple -- compute interpolation formulas/coefficients
+# $Header$
+> 
+#
+# <<<representation of numbers, data values, etc>>>
+# Lagrange_polynomial_interpolant - compute Lagrange polynomial interpolant
+# Hermite_polynomial_interpolant - compute Hermite polynomial interpolant
+# coeff_as_lc_of_data - coefficients of ... (linear combination of data)
+#
+# print_coeff__lc_of_data - print C code to compute coefficients
+# print_fetch_data - print C code to fetch input array chunk into struct data
+# print_store_coeffs - print C code to store struct coeffs "somewhere"
+# print_interp_cmpt__lc_of_data - print C code for computation of interpolant
+#
+# coeff_name - name of coefficient of data at a given [m] coordinate
+# data_var_name - name of variable storing data value at a given [m] coordinate
+#
+> 
+################################################################################
+> 
+#
+# ***** representation of numbers, data values, etc *****
+#
+# We use RATIONAL(p.0,q.0) to denote the rational number p/q.
+#
+# We use DATA(...) to represent the data values being interpolated at a
+# specified [m] coordinate, where the arguments are the [m] coordinates.
+#
+# We use COEFF(...) to represent the molecule coefficient at a specified
+# [m] coordinate, where the arguments are the [m] coordinates.
+#
+# For example, the usual 1-D centered 2nd order 1st derivative molecule
+# would be written
+#	RATIONAL(-1.0,2.0)*DATA(-1) + RATIONA(1.0,2.0)*DATA(1)
+# and its coefficients as
+#	COEFF(-1) = RATIONAL(-1.0,2.0)
+#	COEFF(1) = RATIONAL(1.0,2.0)
+#
+> 
+################################################################################
+################################################################################
+################################################################################
+> 
+#
+# This function computes a Lagrange polynomial interpolant in any
+# number of dimensions.
+#
+# Arguments:
+# fn = The interpolation function.  This should be a procedure in the
+#      coordinates, having the coefficients as global variables.  For
+#      example,
+#	  proc(x,y) c00 + c10*x + c01*y end proc
+# coeff_list = A set of the interpolation coefficients (coefficients in
+#	       the interpolation function), for example [c00, c10, c01].
+# coord_list = A list of the coordinates (independent variables in the
+#	       interpolation function), for example [x,y].
+# posn_list = A list of positions (each a list of numeric values) where the
+#	      interpolant is to use data, for example  hypercube([0,0], [1,1]).
+#	      Any positions may be used; if they're redundant (as in the
+#	      example) the least-squares interpolant is computed.
+#
+# Results:
+# This function returns the interpolating polynomial, in the form of
+# an algebraic expression in the coordinates and the data values.
+#
+> Lagrange_polynomial_interpolant :=
+> proc(
+>       fn::procedure, coeff_list::list(name),
+>       coord_list::list(name), posn_list::list(list(numeric))
+>     )
+> local posn, data_eqns, coeff_eqns;
+> 
+# coefficients of interpolating polynomial
+> data_eqns := {  seq( fn(op(posn))='DATA'(op(posn)) , posn=posn_list )  };
+> coeff_eqns := linalg[leastsqrs](data_eqns, {op(coeff_list)});
+> if (has(coeff_eqns, '_t'))
+>    then error "interpolation coefficients aren't uniquely determined!";
+> end if;
+> 
+# interpolant as a polynomial in the coordinates
+> return subs(coeff_eqns, eval(fn))(op(coord_list));
+> end proc;
+Lagrange_polynomial_interpolant := proc(fn::procedure, coeff_list::list(name),
+coord_list::list(name), posn_list::list(list(numeric)))
+local posn, data_eqns, coeff_eqns;
+    data_eqns := {seq(fn(op(posn)) = 'DATA'(op(posn)), posn = posn_list)};
+    coeff_eqns := linalg[leastsqrs](data_eqns, {op(coeff_list)});
+    if has(coeff_eqns, '_t') then
+        error "interpolation coefficients aren't uniquely determined!"
+    end if;
+    return subs(coeff_eqns, eval(fn))(op(coord_list))
+end proc
+
+> 
+################################################################################
+> 
+#
+# This function computes a Hermite polynomial interpolant in any
+# number of dimensions.  This is a polynomial which
+# * has values which match the given data DATA() at a specified set of
+#   points, and
+# * has derivatives which match the specified finite-difference derivatives
+#   of the given data DATA() at a specified set of points
+#
+# For the derivative matching, we actually match all possible products
+# of 1st derivatives, i.e. in 2-D we match dx, dy, and dxy, in 3-D we
+# match dx, dy, dz, dxy, dxz, dyz, and dxyz, etc etc.
+#
+# Arguments:
+# fn = The interpolation function.  This should be a procedure in the
+#      coordinates, having the coefficients as global variables.  For
+#      example,
+#		proc(x,y)
+#		+ c03*y^3 + c13*x*y^3 + c23*x^2*y^3 + c33*x^3*y^3
+#		+ c02*y^2 + c12*x*y^2 + c22*x^2*y^2 + c32*x^3*y^2
+#		+ c01*y   + c11*x*y   + c21*x^2*y   + c31*x^3*y
+#		+ c00     + c10*x     + c20*x^2     + c30*x^3
+#		end proc;
+# coeff_set = A set of the interpolation coefficients (coefficients in
+#	       the interpolation function), for example
+#			{
+#			c03, c13, c23, c33,
+#			c02, c12, c22, c32,
+#			c01, c11, c21, c31,
+#			c00, c10, c20, c30
+#			}
+# coord_list = A list of the coordinates (independent variables in the
+#	       interpolation function), for example [x,y].
+# deriv_set = A set of equations of the form
+#		{coords} = proc
+#	      giving the derivatives which are to be matched, and the
+#	      procedures to compute their finite-difference approximations.
+#	      Each procedure should take N_dims integer arguments specifying
+#	      an evaluation point, and return a suitable linear combination
+#	      of the DATA() for the derivative at that point.  For example
+#			{
+#			  {x}   = proc(i::integer, j::integer)
+#				  - 1/2*DATA(i-1,j) + 1/2*DATA(i+1,j)
+#				  end proc
+#			,
+#			  {y}   = proc(i::integer, j::integer)
+#				  - 1/2*DATA(i,j-1) + 1/2*DATA(i,j+1)
+#				  end proc
+#			,
+#			  {x,y} = proc(i::integer, j::integer)
+#				  - 1/4*DATA(i-1,j+1) + 1/4*DATA(i+1,j+1)
+#				  + 1/4*DATA(i-1,j-1) - 1/4*DATA(i+1,j-1)
+#				  end proc
+#			}
+# fn_posn_set = A set of positions (each a list of numeric values)
+#		where the interpolant is to match the given data DATA(),
+#		for example
+#			{[0,0], [0,1], [1,0], [1,1]}
+# deriv_posn_set = A list of positions (each a list of numeric values)
+#		   where the interpolant is to match the derivatives
+#		   specified by  deriv_set , for example
+#			{[0,0], [0,1], [1,0], [1,1]}
+#
+# Results:
+# This function returns the interpolating polynomial, in the form of
+# an algebraic expression in the coordinates and the data values.
+#
+> Hermite_polynomial_interpolant :=
+> proc(
+>       fn::procedure,
+>       coeff_set::set(name),
+>       coord_list::list(name),
+>       deriv_set::set(set(name) = procedure),
+>       fn_posn_set::set(list(numeric)),
+>       deriv_posn_set::set(list(numeric))
+>     )
+> local fn_eqnset, deriv_eqnset, coeff_eqns, subs_eqnset;
+> 
+> 
+#
+# compute a set of equations
+#	{fn(posn) = DATA(posn)}
+# giving the function values to be matched
+#
+> fn_eqnset := map(
+> 		    # return equation that fn(posn) = DATA(posn)
+> 		    proc(posn::list(integer))
+> 		    fn(op(posn)) = 'DATA'(op(posn));
+> 		    end proc
+> 		  ,
+> 		    fn_posn_set
+> 		);
+> 
+> 
+#
+# compute a set of equations
+#	{ diff(fn,coords)(posn) = DERIV(coords)(posn) }
+# giving the derivative values to be matched, where DERIV(coords)
+# is a placeholder for the appropriate derivative
+#
+> map(
+>        # return set of equations for this particular derivative
+>        proc(deriv_coords::set(name))
+>        local deriv_fn;
+>        fn(op(coord_list));
+>        diff(%, op(deriv_coords));
+>        deriv_fn := unapply(%, op(coord_list));
+>        map(
+> 	      proc(posn::list(integer))
+> 	      deriv_fn(op(posn)) = 'DERIV'(op(deriv_coords))(op(posn));
+> 	      end proc
+> 	    ,
+> 	      deriv_posn_set
+> 	  );
+>        end proc
+>      ,
+>        map(lhs, deriv_set)
+>    );
+> deriv_eqnset := `union`(op(%));
+> 
+> 
+#
+# solve overall set of equations for coefficients
+# in terms of DATA() and DERIV() values
+#
+> coeff_eqns := solve[linear](fn_eqnset union deriv_eqnset, coeff_set);
+> if (indets(map(rhs,%)) <> {})
+>    then error "no unique solution for coefficients -- %1 eqns for %2 coeffs",
+> 	      nops(fn_eqnset union deriv_eqnset),
+> 	      nops(coeff_set);
+> fi;
+> 
+> 
+#
+# compute a set of substitution equations
+#	{'DERIV'(coords) = procedure}
+#
+> subs_eqnset := map(
+> 		      proc(eqn::set(name) = procedure)
+> 		      'DERIV'(op(lhs(eqn))) = rhs(eqn);
+> 		      end proc
+> 		    ,
+> 		      deriv_set
+> 		  );
+> 
+> 
+#
+# compute the coefficients in terms of the DATA() values
+#
+> subs(subs_eqnset, coeff_eqns);
+> eval(%);
+> 
+#
+# compute the interpolant as a polynomial in the coordinates
+#
+> subs(%, fn(op(coord_list)));
+> end proc;
+Hermite_polynomial_interpolant := proc(fn::procedure, coeff_set::set(name),
+coord_list::list(name), deriv_set::set(set(name) = procedure),
+fn_posn_set::set(list(numeric)), deriv_posn_set::set(list(numeric)))
+local fn_eqnset, deriv_eqnset, coeff_eqns, subs_eqnset;
+    fn_eqnset := map(
+        proc(posn::list(integer)) fn(op(posn)) = 'DATA'(op(posn)) end proc,
+        fn_posn_set);
+    map(proc(deriv_coords::set(name))
+        local deriv_fn;
+            fn(op(coord_list));
+            diff(%, op(deriv_coords));
+            deriv_fn := unapply(%, op(coord_list));
+            map(proc(posn::list(integer))
+                    deriv_fn(op(posn)) =
+                    'DERIV'(op(deriv_coords))(op(posn))
+                end proc, deriv_posn_set)
+        end proc, map(lhs, deriv_set));
+    deriv_eqnset := `union`(op(%));
+    coeff_eqns := solve[linear](fn_eqnset union deriv_eqnset, coeff_set);
+    if indets(map(rhs, %)) <> {} then error
+        "no unique solution for coefficients -- %1 eqns for %2 coeffs",
+        nops(fn_eqnset union deriv_eqnset), nops(coeff_set)
+    end if;
+    subs_eqnset := map(proc(eqn::(set(name) = procedure))
+            'DERIV'(op(lhs(eqn))) = rhs(eqn)
+        end proc, deriv_set);
+    subs(subs_eqnset, coeff_eqns);
+    eval(%);
+    subs(%, fn(op(coord_list)))
+end proc
+
+> 
+################################################################################
+> 
+#
+# This function takes as input an interpolating polynomial, expresses
+# it as a linear combination of the data values, and returns the coefficeints
+# of that form.
+# 
+# Arguments:
+# interpolant = The interpolating polynomial (an algebraic expression
+#		in the coordinates and the data values).
+# posn_list = The same list of data positions used in the interpolant.
+#
+# Results:
+# This function returns the coefficients, as a list of equations of the
+# form   COEFF(...) = value , where each  value  is a polynomial in the
+# coordinates.  The order of the list matches that of  posn_list.
+#
+> coeff_as_lc_of_data :=
+> proc(
+>       interpolant::algebraic,
+>       posn_list::list(list(numeric))
+>     )
+> local data_list, interpolant_as_lc_of_data;
+> 
+# interpolant as a linear combination of the data values
+> data_list := [ seq( 'DATA'(op(posn)) , posn=posn_list ) ];
+> interpolant_as_lc_of_data := collect(interpolant, data_list);
+> 
+# coefficients of the data values in the linear combination
+> return map(
+> 	      proc(posn::list(numeric))
+> 	      coeff(interpolant_as_lc_of_data, DATA(op(posn)));
+> 	      'COEFF'(op(posn)) = %;
+> 	      end proc
+> 	    ,
+> 	      posn_list
+> 	  );
+> end proc;
+coeff_as_lc_of_data := proc(
+interpolant::algebraic, posn_list::list(list(numeric)))
+local data_list, interpolant_as_lc_of_data;
+    data_list := [seq('DATA'(op(posn)), posn = posn_list)];
+    interpolant_as_lc_of_data := collect(interpolant, data_list);
+    return map(proc(posn::list(numeric))
+            coeff(interpolant_as_lc_of_data, DATA(op(posn)));
+            'COEFF'(op(posn)) = %
+        end proc, posn_list)
+end proc
+
+> 
+################################################################################
+################################################################################
+################################################################################
+> 
+#
+# This function prints C expressions for the coefficients of an
+# interpolating polynomial.  (The polynomial is expressed as linear
+# combinations of the data values with coefficients which are
+# RATIONAL(p,q) calls.)
+#
+# Arguments:
+# coeff_list = A list of the coefficients, as returned from
+#	       coeff_as_lc_of_data() .
+# coeff_name_prefix = A prefix string for the coefficient names.
+# temp_name_type = The C type to be used for Maple-introduced temporary
+#		   names, eg. "double".
+# file_name = The file name to write the coefficients to.  This is
+#	      truncated before writing.
+#
+> print_coeff__lc_of_data :=
+> proc( coeff_list::list(specfunc(numeric,COEFF) = algebraic),
+>       coeff_name_prefix::string,
+>       temp_name_type::string,
+>       file_name::string )
+> global `codegen/C/function/informed`;
+> local coeff_list2, cmpt_list, temp_name_list;
+> 
+# convert LHS of each equation from a COEFF() call (eg COEFF(-1,+1))
+# to a Maple/C variable name (eg coeff_I_m1_p1)
+> coeff_list2 := map(
+> 		      proc(coeff_eqn::specfunc(numeric,COEFF) = algebraic)
+> 		      local posn;
+> 		      posn := [op(lhs(coeff_eqn))];
+> 		      coeff_name(posn,coeff_name_prefix);
+> 		      convert(%, name);	# codegen[C] wants LHS
+> 					# to be an actual Maple *name*
+> 		      % = fix_rationals(rhs(coeff_eqn));
+> 		      end proc
+> 		    ,
+> 		      coeff_list
+> 		  );
+> 
+#
+# generate the C code
+#
+> 
+# tell codegen[C] not to warn about unknown RATIONAL() and DATA() "fn calls"
+# via undocumented :( global table
+> `codegen/C/function/informed`['RATIONAL'] := true;
+> `codegen/C/function/informed`['DATA'] := true;
+> 
+> ftruncate(file_name);
+> 
+# optimized computation sequence for all the coefficients
+# (may use local variables t0,t1,t2,...)
+> cmpt_list := [codegen[optimize](coeff_list2, tryhard)];
+> 
+# list of the t0,t1,t2,... local variables
+> temp_name_list := nonmatching_names(map(lhs,cmpt_list), coeff_name_prefix);
+> 
+# declare the t0,t1,t2,... local variables (if there are any)
+> if (nops(temp_name_list) > 0)
+>    then print_name_list_dcl(%, temp_name_type, file_name);
+> fi;
+> 
+# now print the optimized computation sequence
+> codegen[C](cmpt_list, filename=file_name);
+> 
+> fclose(file_name);
+> 
+> NULL;
+> end proc;
+print_coeff__lc_of_data := proc(
+coeff_list::list(specfunc(numeric, COEFF) = algebraic),
+coeff_name_prefix::string, temp_name_type::string, file_name::string)
+local coeff_list2, cmpt_list, temp_name_list;
+global `codegen/C/function/informed`;
+    coeff_list2 := map(proc(
+        coeff_eqn::(specfunc(numeric, COEFF) = algebraic))
+        local posn;
+            posn := [op(lhs(coeff_eqn))];
+            coeff_name(posn, coeff_name_prefix);
+            convert(%, name);
+            % = fix_rationals(rhs(coeff_eqn))
+        end proc, coeff_list);
+    `codegen/C/function/informed`['RATIONAL'] := true;
+    `codegen/C/function/informed`['DATA'] := true;
+    ftruncate(file_name);
+    cmpt_list := [codegen[optimize](coeff_list2, tryhard)];
+    temp_name_list :=
+        nonmatching_names(map(lhs, cmpt_list), coeff_name_prefix);
+    if 0 < nops(temp_name_list) then
+        print_name_list_dcl(%, temp_name_type, file_name)
+    end if;
+    codegen[C](cmpt_list, filename = file_name);
+    fclose(file_name);
+    NULL
+end proc
+
+> 
+################################################################################
+> 
+#
+# This function prints a sequence of C expression to assign the data-value
+# variables, eg
+#	data->data_m1_p1 = DATA(-1,1);
+#
+# Arguments:
+# posn_list = The same list of positions as was used to compute the
+#	      interpolating polynomial.
+# data_var_name_prefix = A prefix string for the data variable names.
+# file_name = The file name to write the coefficients to.  This is
+#	      truncated before writing.
+#
+> print_fetch_data :=
+> proc(
+>       posn_list::list(list(numeric)),
+>       data_var_name_prefix::string,
+>       file_name::string
+>     )
+> 
+> ftruncate(file_name);
+> map(
+>        proc(posn::list(numeric))
+>        fprintf(file_name,
+> 	       "%s = %a;\n",
+> 	       data_var_name(posn,data_var_name_prefix),
+> 	       DATA(op(posn)));
+>        end proc
+>      ,
+>        posn_list
+>    );
+> fclose(file_name);
+> 
+> NULL;
+> end proc;
+print_fetch_data := proc(posn_list::list(list(numeric)),
+data_var_name_prefix::string, file_name::string)
+    ftruncate(file_name);
+    map(proc(posn::list(numeric))
+            fprintf(file_name, "%s = %a;\n",
+            data_var_name(posn, data_var_name_prefix), DATA(op(posn)))
+        end proc, posn_list);
+    fclose(file_name);
+    NULL
+end proc
+
+> 
+################################################################################
+> 
+#
+# This function prints a sequence of C expression to store the interpolation
+# coefficients in  COEFF(...)  expressions, eg
+#	COEFF(1,-1) = factor * coeffs->coeff_p1_m1;
+#
+# Arguments:
+# posn_list = The list of positions in the molecule.
+# coeff_name_prefix = A prefix string for the coefficient names,
+#		      eg "factor * coeffs->coeff_"
+# file_name = The file name to write the coefficients to.  This is
+#	      truncated before writing.
+#
+> print_store_coeffs :=
+> proc(
+>       posn_list::list(list(numeric)),
+>       coeff_name_prefix::string,
+>       file_name::string
+>     )
+> 
+> ftruncate(file_name);
+> map(
+>        proc(posn::list(numeric))
+>        fprintf(file_name,
+> 	       "%a = %s;\n",
+> 	       'COEFF'(op(posn)),
+> 	       coeff_name(posn,coeff_name_prefix));
+>        end proc
+>      ,
+>        posn_list
+>    );
+> fclose(file_name);
+> 
+> NULL;
+> end proc;
+print_store_coeffs := proc(posn_list::list(list(numeric)),
+coeff_name_prefix::string, file_name::string)
+    ftruncate(file_name);
+    map(proc(posn::list(numeric))
+            fprintf(file_name, "%a = %s;\n", 'COEFF'(op(posn)),
+            coeff_name(posn, coeff_name_prefix))
+        end proc, posn_list);
+    fclose(file_name);
+    NULL
+end proc
+
+> 
+################################################################################
+> 
+#
+# This function prints a C expression to evaluate a molecule, i.e.
+# to compute the molecule as a linear combination of the data values.
+#
+# Arguments:
+# posn_list = The list of positions in the molecule.
+# coeff_name_prefix = A prefix string for the coefficient names.
+# data_var_name_prefix = A prefix string for the data variable names.
+# file_name = The file name to write the coefficients to.  This is
+#	      truncated before writing.
+#
+> print_evaluate_molecule :=
+> proc(
+>       posn_list::list(list(numeric)),
+>       coeff_name_prefix::string,
+>       data_var_name_prefix::string,
+>       file_name::string
+>     )
+> 
+> ftruncate(file_name);
+> 
+# list of "coeff*data_var" terms
+> map(
+>        proc(posn::list(numeric))
+>        sprintf("%s*%s",
+> 	       coeff_name(posn,coeff_name_prefix),
+> 	       data_var_name(posn,data_var_name_prefix));
+>        end proc
+>      ,
+>        posn_list
+>    );
+> 
+> ListTools[Join](%, "\n  + ");
+> cat(op(%));
+> fprintf(file_name, "    %s;\n", %);
+> 
+> fclose(file_name);
+> 
+> NULL;
+> end proc;
+print_evaluate_molecule := proc(posn_list::list(list(numeric)),
+coeff_name_prefix::string, data_var_name_prefix::string, file_name::string)
+    ftruncate(file_name);
+    map(proc(posn::list(numeric))
+            sprintf("%s*%s", coeff_name(posn, coeff_name_prefix),
+            data_var_name(posn, data_var_name_prefix))
+        end proc, posn_list);
+    ListTools[Join](%, "\n  + ");
+    cat(op(%));
+    fprintf(file_name, "    %s;\n", %);
+    fclose(file_name);
+    NULL
+end proc
+
+> 
+################################################################################
+################################################################################
+################################################################################
+> 
+#
+# This function computes the name of the coefficient of the data at a
+# given [m] position, i.e. it encapsulates our naming convention for this.
+#
+# Arguments:
+# posn = (in) The [m] coordinates.
+# name_prefix = A prefix string for the coefficient name.
+#
+# Results:
+# The function returns the coefficient, as a Maple string.
+#
+> coeff_name :=
+> proc(posn::list(numeric), name_prefix::string)
+> cat(name_prefix, sprint_numeric_list(posn));
+> end proc;
+coeff_name := proc(posn::list(numeric), name_prefix::string)
+    cat(name_prefix, sprint_numeric_list(posn))
+end proc
+
+> 
+################################################################################
+> 
+#
+# This function computes the name of the variable in which the C code
+# will store the input data at a given [m] position, i.e. it encapsulates
+# our naming convention for this.
+#
+# Arguments:
+# posn = (in) The [m] coordinates.
+# name_prefix = A prefix string for the variable name.
+#
+# Results:
+# The function returns the variable name, as a Maple string.
+#
+> data_var_name :=
+> proc(posn::list(numeric), name_prefix::string)
+> cat(name_prefix, sprint_numeric_list(posn));
+> end proc;
+data_var_name := proc(posn::list(numeric), name_prefix::string)
+    cat(name_prefix, sprint_numeric_list(posn))
+end proc
+
+# Maple code to compute lists of point positions in hypercube-shaped molecules
+# $Header$
+> 
+################################################################################
+> 
+#
+# 1D interpolation points
+#
+> posn_list_1d_size2 := hypercube_points([ 0], [+1]);
+                        posn_list_1d_size2 := [[0], [1]]
+
+> posn_list_1d_size3 := hypercube_points([-1], [+1]);
+                     posn_list_1d_size3 := [[-1], [0], [1]]
+
+> posn_list_1d_size4 := hypercube_points([-1], [+2]);
+                  posn_list_1d_size4 := [[-1], [0], [1], [2]]
+
+> posn_list_1d_size5 := hypercube_points([-2], [+2]);
+               posn_list_1d_size5 := [[-2], [-1], [0], [1], [2]]
+
+> posn_list_1d_size6 := hypercube_points([-2], [+3]);
+             posn_list_1d_size6 := [[-2], [-1], [0], [1], [2], [3]]
+
+> posn_list_1d_size7 := hypercube_points([-3], [+3]);
+          posn_list_1d_size7 := [[-3], [-2], [-1], [0], [1], [2], [3]]
+
+> 
+################################################################################
+> 
+#
+# 2D interpolation points (Fortran ordering)
+#
+> posn_list_2d_size2 := map(ListTools[Reverse],
+> 			  hypercube_points([ 0, 0], [+1,+1]));
+             posn_list_2d_size2 := [[0, 0], [1, 0], [0, 1], [1, 1]]
+
+> posn_list_2d_size3 := map(ListTools[Reverse],
+> 			  hypercube_points([-1,-1], [+1,+1]));
+posn_list_2d_size3 := [[-1, -1], [0, -1], [1, -1], [-1, 0], [0, 0], [1, 0],
+
+    [-1, 1], [0, 1], [1, 1]]
+
+> posn_list_2d_size4 := map(ListTools[Reverse],
+> 			  hypercube_points([-1,-1], [+2,+2]));
+posn_list_2d_size4 := [[-1, -1], [0, -1], [1, -1], [2, -1], [-1, 0], [0, 0],
+
+    [1, 0], [2, 0], [-1, 1], [0, 1], [1, 1], [2, 1], [-1, 2], [0, 2], [1, 2],
+
+    [2, 2]]
+
+> posn_list_2d_size5 := map(ListTools[Reverse],
+> 			  hypercube_points([-2,-2], [+2,+2]));
+posn_list_2d_size5 := [[-2, -2], [-1, -2], [0, -2], [1, -2], [2, -2], [-2, -1],
+
+    [-1, -1], [0, -1], [1, -1], [2, -1], [-2, 0], [-1, 0], [0, 0], [1, 0],
+
+    [2, 0], [-2, 1], [-1, 1], [0, 1], [1, 1], [2, 1], [-2, 2], [-1, 2], [0, 2],
+
+    [1, 2], [2, 2]]
+
+> posn_list_2d_size6 := map(ListTools[Reverse],
+> 			  hypercube_points([-2,-2], [+3,+3]));
+posn_list_2d_size6 := [[-2, -2], [-1, -2], [0, -2], [1, -2], [2, -2], [3, -2],
+
+    [-2, -1], [-1, -1], [0, -1], [1, -1], [2, -1], [3, -1], [-2, 0], [-1, 0],
+
+    [0, 0], [1, 0], [2, 0], [3, 0], [-2, 1], [-1, 1], [0, 1], [1, 1], [2, 1],
+
+    [3, 1], [-2, 2], [-1, 2], [0, 2], [1, 2], [2, 2], [3, 2], [-2, 3], [-1, 3],
+
+    [0, 3], [1, 3], [2, 3], [3, 3]]
+
+> 
+################################################################################
+> 
+#
+# 3D interpolation points (Fortran ordering)
+#
+> posn_list_3d_size2 := map(ListTools[Reverse],
+> 			  hypercube_points([ 0, 0, 0], [+1,+1,+1]));
+posn_list_3d_size2 := [[0, 0, 0], [1, 0, 0], [0, 1, 0], [1, 1, 0], [0, 0, 1],
+
+    [1, 0, 1], [0, 1, 1], [1, 1, 1]]
+
+> posn_list_3d_size3 := map(ListTools[Reverse],
+> 			  hypercube_points([-1,-1,-1], [+1,+1,+1]));
+posn_list_3d_size3 := [[-1, -1, -1], [0, -1, -1], [1, -1, -1], [-1, 0, -1],
+
+    [0, 0, -1], [1, 0, -1], [-1, 1, -1], [0, 1, -1], [1, 1, -1], [-1, -1, 0],
+
+    [0, -1, 0], [1, -1, 0], [-1, 0, 0], [0, 0, 0], [1, 0, 0], [-1, 1, 0],
+
+    [0, 1, 0], [1, 1, 0], [-1, -1, 1], [0, -1, 1], [1, -1, 1], [-1, 0, 1],
+
+    [0, 0, 1], [1, 0, 1], [-1, 1, 1], [0, 1, 1], [1, 1, 1]]
+
+> posn_list_3d_size4 := map(ListTools[Reverse],
+> 			  hypercube_points([-1,-1,-1], [+2,+2,+2]));
+posn_list_3d_size4 := [[-1, -1, -1], [0, -1, -1], [1, -1, -1], [2, -1, -1],
+
+    [-1, 0, -1], [0, 0, -1], [1, 0, -1], [2, 0, -1], [-1, 1, -1], [0, 1, -1],
+
+    [1, 1, -1], [2, 1, -1], [-1, 2, -1], [0, 2, -1], [1, 2, -1], [2, 2, -1],
+
+    [-1, -1, 0], [0, -1, 0], [1, -1, 0], [2, -1, 0], [-1, 0, 0], [0, 0, 0],
+
+    [1, 0, 0], [2, 0, 0], [-1, 1, 0], [0, 1, 0], [1, 1, 0], [2, 1, 0],
+
+    [-1, 2, 0], [0, 2, 0], [1, 2, 0], [2, 2, 0], [-1, -1, 1], [0, -1, 1],
+
+    [1, -1, 1], [2, -1, 1], [-1, 0, 1], [0, 0, 1], [1, 0, 1], [2, 0, 1],
+
+    [-1, 1, 1], [0, 1, 1], [1, 1, 1], [2, 1, 1], [-1, 2, 1], [0, 2, 1],
+
+    [1, 2, 1], [2, 2, 1], [-1, -1, 2], [0, -1, 2], [1, -1, 2], [2, -1, 2],
+
+    [-1, 0, 2], [0, 0, 2], [1, 0, 2], [2, 0, 2], [-1, 1, 2], [0, 1, 2],
+
+    [1, 1, 2], [2, 1, 2], [-1, 2, 2], [0, 2, 2], [1, 2, 2], [2, 2, 2]]
+
+> posn_list_3d_size5 := map(ListTools[Reverse],
+> 			  hypercube_points([-2,-2,-2], [+2,+2,+2]));
+posn_list_3d_size5 := [[-2, -2, -2], [-1, -2, -2], [0, -2, -2], [1, -2, -2],
+
+    [2, -2, -2], [-2, -1, -2], [-1, -1, -2], [0, -1, -2], [1, -1, -2],
+
+    [2, -1, -2], [-2, 0, -2], [-1, 0, -2], [0, 0, -2], [1, 0, -2], [2, 0, -2],
+
+    [-2, 1, -2], [-1, 1, -2], [0, 1, -2], [1, 1, -2], [2, 1, -2], [-2, 2, -2],
+
+    [-1, 2, -2], [0, 2, -2], [1, 2, -2], [2, 2, -2], [-2, -2, -1], [-1, -2, -1],
+
+    [0, -2, -1], [1, -2, -1], [2, -2, -1], [-2, -1, -1], [-1, -1, -1],
+
+    [0, -1, -1], [1, -1, -1], [2, -1, -1], [-2, 0, -1], [-1, 0, -1], [0, 0, -1],
+
+    [1, 0, -1], [2, 0, -1], [-2, 1, -1], [-1, 1, -1], [0, 1, -1], [1, 1, -1],
+
+    [2, 1, -1], [-2, 2, -1], [-1, 2, -1], [0, 2, -1], [1, 2, -1], [2, 2, -1],
+
+    [-2, -2, 0], [-1, -2, 0], [0, -2, 0], [1, -2, 0], [2, -2, 0], [-2, -1, 0],
+
+    [-1, -1, 0], [0, -1, 0], [1, -1, 0], [2, -1, 0], [-2, 0, 0], [-1, 0, 0],
+
+    [0, 0, 0], [1, 0, 0], [2, 0, 0], [-2, 1, 0], [-1, 1, 0], [0, 1, 0],
+
+    [1, 1, 0], [2, 1, 0], [-2, 2, 0], [-1, 2, 0], [0, 2, 0], [1, 2, 0],
+
+    [2, 2, 0], [-2, -2, 1], [-1, -2, 1], [0, -2, 1], [1, -2, 1], [2, -2, 1],
+
+    [-2, -1, 1], [-1, -1, 1], [0, -1, 1], [1, -1, 1], [2, -1, 1], [-2, 0, 1],
+
+    [-1, 0, 1], [0, 0, 1], [1, 0, 1], [2, 0, 1], [-2, 1, 1], [-1, 1, 1],
+
+    [0, 1, 1], [1, 1, 1], [2, 1, 1], [-2, 2, 1], [-1, 2, 1], [0, 2, 1],
+
+    [1, 2, 1], [2, 2, 1], [-2, -2, 2], [-1, -2, 2], [0, -2, 2], [1, -2, 2],
+
+    [2, -2, 2], [-2, -1, 2], [-1, -1, 2], [0, -1, 2], [1, -1, 2], [2, -1, 2],
+
+    [-2, 0, 2], [-1, 0, 2], [0, 0, 2], [1, 0, 2], [2, 0, 2], [-2, 1, 2],
+
+    [-1, 1, 2], [0, 1, 2], [1, 1, 2], [2, 1, 2], [-2, 2, 2], [-1, 2, 2],
+
+    [0, 2, 2], [1, 2, 2], [2, 2, 2]]
+
+> posn_list_3d_size6 := map(ListTools[Reverse],
+> 			  hypercube_points([-2,-2,-2], [+3,+3,+3]));
+posn_list_3d_size6 := [[-2, -2, -2], [-1, -2, -2], [0, -2, -2], [1, -2, -2],
+
+    [2, -2, -2], [3, -2, -2], [-2, -1, -2], [-1, -1, -2], [0, -1, -2],
+
+    [1, -1, -2], [2, -1, -2], [3, -1, -2], [-2, 0, -2], [-1, 0, -2], [0, 0, -2],
+
+    [1, 0, -2], [2, 0, -2], [3, 0, -2], [-2, 1, -2], [-1, 1, -2], [0, 1, -2],
+
+    [1, 1, -2], [2, 1, -2], [3, 1, -2], [-2, 2, -2], [-1, 2, -2], [0, 2, -2],
+
+    [1, 2, -2], [2, 2, -2], [3, 2, -2], [-2, 3, -2], [-1, 3, -2], [0, 3, -2],
+
+    [1, 3, -2], [2, 3, -2], [3, 3, -2], [-2, -2, -1], [-1, -2, -1], [0, -2, -1],
+
+    [1, -2, -1], [2, -2, -1], [3, -2, -1], [-2, -1, -1], [-1, -1, -1],
+
+    [0, -1, -1], [1, -1, -1], [2, -1, -1], [3, -1, -1], [-2, 0, -1],
+
+    [-1, 0, -1], [0, 0, -1], [1, 0, -1], [2, 0, -1], [3, 0, -1], [-2, 1, -1],
+
+    [-1, 1, -1], [0, 1, -1], [1, 1, -1], [2, 1, -1], [3, 1, -1], [-2, 2, -1],
+
+    [-1, 2, -1], [0, 2, -1], [1, 2, -1], [2, 2, -1], [3, 2, -1], [-2, 3, -1],
+
+    [-1, 3, -1], [0, 3, -1], [1, 3, -1], [2, 3, -1], [3, 3, -1], [-2, -2, 0],
+
+    [-1, -2, 0], [0, -2, 0], [1, -2, 0], [2, -2, 0], [3, -2, 0], [-2, -1, 0],
+
+    [-1, -1, 0], [0, -1, 0], [1, -1, 0], [2, -1, 0], [3, -1, 0], [-2, 0, 0],
+
+    [-1, 0, 0], [0, 0, 0], [1, 0, 0], [2, 0, 0], [3, 0, 0], [-2, 1, 0],
+
+    [-1, 1, 0], [0, 1, 0], [1, 1, 0], [2, 1, 0], [3, 1, 0], [-2, 2, 0],
+
+    [-1, 2, 0], [0, 2, 0], [1, 2, 0], [2, 2, 0], [3, 2, 0], [-2, 3, 0],
+
+    [-1, 3, 0], [0, 3, 0], [1, 3, 0], [2, 3, 0], [3, 3, 0], [-2, -2, 1],
+
+    [-1, -2, 1], [0, -2, 1], [1, -2, 1], [2, -2, 1], [3, -2, 1], [-2, -1, 1],
+
+    [-1, -1, 1], [0, -1, 1], [1, -1, 1], [2, -1, 1], [3, -1, 1], [-2, 0, 1],
+
+    [-1, 0, 1], [0, 0, 1], [1, 0, 1], [2, 0, 1], [3, 0, 1], [-2, 1, 1],
+
+    [-1, 1, 1], [0, 1, 1], [1, 1, 1], [2, 1, 1], [3, 1, 1], [-2, 2, 1],
+
+    [-1, 2, 1], [0, 2, 1], [1, 2, 1], [2, 2, 1], [3, 2, 1], [-2, 3, 1],
+
+    [-1, 3, 1], [0, 3, 1], [1, 3, 1], [2, 3, 1], [3, 3, 1], [-2, -2, 2],
+
+    [-1, -2, 2], [0, -2, 2], [1, -2, 2], [2, -2, 2], [3, -2, 2], [-2, -1, 2],
+
+    [-1, -1, 2], [0, -1, 2], [1, -1, 2], [2, -1, 2], [3, -1, 2], [-2, 0, 2],
+
+    [-1, 0, 2], [0, 0, 2], [1, 0, 2], [2, 0, 2], [3, 0, 2], [-2, 1, 2],
+
+    [-1, 1, 2], [0, 1, 2], [1, 1, 2], [2, 1, 2], [3, 1, 2], [-2, 2, 2],
+
+    [-1, 2, 2], [0, 2, 2], [1, 2, 2], [2, 2, 2], [3, 2, 2], [-2, 3, 2],
+
+    [-1, 3, 2], [0, 3, 2], [1, 3, 2], [2, 3, 2], [3, 3, 2], [-2, -2, 3],
+
+    [-1, -2, 3], [0, -2, 3], [1, -2, 3], [2, -2, 3], [3, -2, 3], [-2, -1, 3],
+
+    [-1, -1, 3], [0, -1, 3], [1, -1, 3], [2, -1, 3], [3, -1, 3], [-2, 0, 3],
+
+    [-1, 0, 3], [0, 0, 3], [1, 0, 3], [2, 0, 3], [3, 0, 3], [-2, 1, 3],
+
+    [-1, 1, 3], [0, 1, 3], [1, 1, 3], [2, 1, 3], [3, 1, 3], [-2, 2, 3],
+
+    [-1, 2, 3], [0, 2, 3], [1, 2, 3], [2, 2, 3], [3, 2, 3], [-2, 3, 3],
+
+    [-1, 3, 3], [0, 3, 3], [1, 3, 3], [2, 3, 3], [3, 3, 3]]
+
+# Maple code to compute common coefficients for all 3d interpolation schemes
+# $Header$
+> 
+################################################################################
+> 
+#
+# generic stuff for 3d, cube, size=2
+#
+> 
+> data_list_3d_size2 := map(data_var_name, posn_list_3d_size2, "data_");
+data_list_3d_size2 := ["data_0_0_0", "data_p1_0_0", "data_0_p1_0",
+
+    "data_p1_p1_0", "data_0_0_p1", "data_p1_0_p1", "data_0_p1_p1",
+
+    "data_p1_p1_p1"]
+
+> coeffs_list_3d_size2 := map(coeff_name, posn_list_3d_size2, "coeff_");
+coeffs_list_3d_size2 := ["coeff_0_0_0", "coeff_p1_0_0", "coeff_0_p1_0",
+
+    "coeff_p1_p1_0", "coeff_0_0_p1", "coeff_p1_0_p1", "coeff_0_p1_p1",
+
+    "coeff_p1_p1_p1"]
+
+> 
+> print_name_list_dcl(data_list_3d_size2, "fp",
+> 		    "3d.cube.size2/data-dcl.h");
+> print_name_list_dcl(coeffs_list_3d_size2, "fp",
+> 		    "3d.cube.size2/coeffs-dcl.h");
+> 
+> print_fetch_data(posn_list_3d_size2, "data->data_",
+> 		 "3d.cube.size2/fetch-data.c");
+> print_evaluate_molecule(posn_list_3d_size2,
+> 			"coeffs->coeff_", "data->data_",
+> 			"3d.cube.size2/evaluate-molecule.c");
+> print_store_coeffs(posn_list_3d_size2,
+> 		   "factor * coeffs->coeff_",
+> 		   "3d.cube.size2/store-coeffs.c");
+> 
+################################################################################
+> 
+#
+# generic stuff for 3d, cube, size=3
+#
+> 
+> data_list_3d_size3 := map(data_var_name, posn_list_3d_size3, "data_");
+data_list_3d_size3 := ["data_m1_m1_m1", "data_0_m1_m1", "data_p1_m1_m1",
+
+    "data_m1_0_m1", "data_0_0_m1", "data_p1_0_m1", "data_m1_p1_m1",
+
+    "data_0_p1_m1", "data_p1_p1_m1", "data_m1_m1_0", "data_0_m1_0",
+
+    "data_p1_m1_0", "data_m1_0_0", "data_0_0_0", "data_p1_0_0", "data_m1_p1_0",
+
+    "data_0_p1_0", "data_p1_p1_0", "data_m1_m1_p1", "data_0_m1_p1",
+
+    "data_p1_m1_p1", "data_m1_0_p1", "data_0_0_p1", "data_p1_0_p1",
+
+    "data_m1_p1_p1", "data_0_p1_p1", "data_p1_p1_p1"]
+
+> coeffs_list_3d_size3 := map(coeff_name, posn_list_3d_size3, "coeff_");
+coeffs_list_3d_size3 := ["coeff_m1_m1_m1", "coeff_0_m1_m1", "coeff_p1_m1_m1",
+
+    "coeff_m1_0_m1", "coeff_0_0_m1", "coeff_p1_0_m1", "coeff_m1_p1_m1",
+
+    "coeff_0_p1_m1", "coeff_p1_p1_m1", "coeff_m1_m1_0", "coeff_0_m1_0",
+
+    "coeff_p1_m1_0", "coeff_m1_0_0", "coeff_0_0_0", "coeff_p1_0_0",
+
+    "coeff_m1_p1_0", "coeff_0_p1_0", "coeff_p1_p1_0", "coeff_m1_m1_p1",
+
+    "coeff_0_m1_p1", "coeff_p1_m1_p1", "coeff_m1_0_p1", "coeff_0_0_p1",
+
+    "coeff_p1_0_p1", "coeff_m1_p1_p1", "coeff_0_p1_p1", "coeff_p1_p1_p1"]
+
+> 
+> print_name_list_dcl(data_list_3d_size3, "fp",
+> 		    "3d.cube.size3/data-dcl.h");
+> print_name_list_dcl(coeffs_list_3d_size3, "fp",
+> 		    "3d.cube.size3/coeffs-dcl.h");
+> 
+> print_fetch_data(posn_list_3d_size3, "data->data_",
+> 		 "3d.cube.size3/fetch-data.c");
+> print_evaluate_molecule(posn_list_3d_size3,
+> 			"coeffs->coeff_", "data->data_",
+> 			"3d.cube.size3/evaluate-molecule.c");
+> print_store_coeffs(posn_list_3d_size3,
+> 		   "factor * coeffs->coeff_",
+> 		   "3d.cube.size3/store-coeffs.c");
+> 
+################################################################################
+> 
+#
+# generic stuff for 3d, cube, size=4
+#
+> 
+> data_list_3d_size4 := map(data_var_name, posn_list_3d_size4, "data_");
+data_list_3d_size4 := ["data_m1_m1_m1", "data_0_m1_m1", "data_p1_m1_m1",
+
+    "data_p2_m1_m1", "data_m1_0_m1", "data_0_0_m1", "data_p1_0_m1",
+
+    "data_p2_0_m1", "data_m1_p1_m1", "data_0_p1_m1", "data_p1_p1_m1",
+
+    "data_p2_p1_m1", "data_m1_p2_m1", "data_0_p2_m1", "data_p1_p2_m1",
+
+    "data_p2_p2_m1", "data_m1_m1_0", "data_0_m1_0", "data_p1_m1_0",
+
+    "data_p2_m1_0", "data_m1_0_0", "data_0_0_0", "data_p1_0_0", "data_p2_0_0",
+
+    "data_m1_p1_0", "data_0_p1_0", "data_p1_p1_0", "data_p2_p1_0",
+
+    "data_m1_p2_0", "data_0_p2_0", "data_p1_p2_0", "data_p2_p2_0",
+
+    "data_m1_m1_p1", "data_0_m1_p1", "data_p1_m1_p1", "data_p2_m1_p1",
+
+    "data_m1_0_p1", "data_0_0_p1", "data_p1_0_p1", "data_p2_0_p1",
+
+    "data_m1_p1_p1", "data_0_p1_p1", "data_p1_p1_p1", "data_p2_p1_p1",
+
+    "data_m1_p2_p1", "data_0_p2_p1", "data_p1_p2_p1", "data_p2_p2_p1",
+
+    "data_m1_m1_p2", "data_0_m1_p2", "data_p1_m1_p2", "data_p2_m1_p2",
+
+    "data_m1_0_p2", "data_0_0_p2", "data_p1_0_p2", "data_p2_0_p2",
+
+    "data_m1_p1_p2", "data_0_p1_p2", "data_p1_p1_p2", "data_p2_p1_p2",
+
+    "data_m1_p2_p2", "data_0_p2_p2", "data_p1_p2_p2", "data_p2_p2_p2"]
+
+> coeffs_list_3d_size4 := map(coeff_name, posn_list_3d_size4, "coeff_");
+coeffs_list_3d_size4 := ["coeff_m1_m1_m1", "coeff_0_m1_m1", "coeff_p1_m1_m1",
+
+    "coeff_p2_m1_m1", "coeff_m1_0_m1", "coeff_0_0_m1", "coeff_p1_0_m1",
+
+    "coeff_p2_0_m1", "coeff_m1_p1_m1", "coeff_0_p1_m1", "coeff_p1_p1_m1",
+
+    "coeff_p2_p1_m1", "coeff_m1_p2_m1", "coeff_0_p2_m1", "coeff_p1_p2_m1",
+
+    "coeff_p2_p2_m1", "coeff_m1_m1_0", "coeff_0_m1_0", "coeff_p1_m1_0",
+
+    "coeff_p2_m1_0", "coeff_m1_0_0", "coeff_0_0_0", "coeff_p1_0_0",
+
+    "coeff_p2_0_0", "coeff_m1_p1_0", "coeff_0_p1_0", "coeff_p1_p1_0",
+
+    "coeff_p2_p1_0", "coeff_m1_p2_0", "coeff_0_p2_0", "coeff_p1_p2_0",
+
+    "coeff_p2_p2_0", "coeff_m1_m1_p1", "coeff_0_m1_p1", "coeff_p1_m1_p1",
+
+    "coeff_p2_m1_p1", "coeff_m1_0_p1", "coeff_0_0_p1", "coeff_p1_0_p1",
+
+    "coeff_p2_0_p1", "coeff_m1_p1_p1", "coeff_0_p1_p1", "coeff_p1_p1_p1",
+
+    "coeff_p2_p1_p1", "coeff_m1_p2_p1", "coeff_0_p2_p1", "coeff_p1_p2_p1",
+
+    "coeff_p2_p2_p1", "coeff_m1_m1_p2", "coeff_0_m1_p2", "coeff_p1_m1_p2",
+
+    "coeff_p2_m1_p2", "coeff_m1_0_p2", "coeff_0_0_p2", "coeff_p1_0_p2",
+
+    "coeff_p2_0_p2", "coeff_m1_p1_p2", "coeff_0_p1_p2", "coeff_p1_p1_p2",
+
+    "coeff_p2_p1_p2", "coeff_m1_p2_p2", "coeff_0_p2_p2", "coeff_p1_p2_p2",
+
+    "coeff_p2_p2_p2"]
+
+> 
+> print_name_list_dcl(data_list_3d_size4, "fp",
+> 		    "3d.cube.size4/data-dcl.h");
+> print_name_list_dcl(coeffs_list_3d_size4, "fp",
+> 		    "3d.cube.size4/coeffs-dcl.h");
+> 
+> print_fetch_data(posn_list_3d_size4, "data->data_",
+> 		 "3d.cube.size4/fetch-data.c");
+> print_evaluate_molecule(posn_list_3d_size4,
+> 			"coeffs->coeff_", "data->data_",
+> 			"3d.cube.size4/evaluate-molecule.c");
+bytes used=1000080, alloc=917336, time=0.12
+> print_store_coeffs(posn_list_3d_size4,
+> 		   "factor * coeffs->coeff_",
+> 		   "3d.cube.size4/store-coeffs.c");
+> 
+################################################################################
+> 
+#
+# generic stuff for 3d, cube, size=5
+#
+> 
+> data_list_3d_size5 := map(data_var_name, posn_list_3d_size5, "data_");
+data_list_3d_size5 := ["data_m2_m2_m2", "data_m1_m2_m2", "data_0_m2_m2",
+
+    "data_p1_m2_m2", "data_p2_m2_m2", "data_m2_m1_m2", "data_m1_m1_m2",
+
+    "data_0_m1_m2", "data_p1_m1_m2", "data_p2_m1_m2", "data_m2_0_m2",
+
+    "data_m1_0_m2", "data_0_0_m2", "data_p1_0_m2", "data_p2_0_m2",
+
+    "data_m2_p1_m2", "data_m1_p1_m2", "data_0_p1_m2", "data_p1_p1_m2",
+
+    "data_p2_p1_m2", "data_m2_p2_m2", "data_m1_p2_m2", "data_0_p2_m2",
+
+    "data_p1_p2_m2", "data_p2_p2_m2", "data_m2_m2_m1", "data_m1_m2_m1",
+
+    "data_0_m2_m1", "data_p1_m2_m1", "data_p2_m2_m1", "data_m2_m1_m1",
+
+    "data_m1_m1_m1", "data_0_m1_m1", "data_p1_m1_m1", "data_p2_m1_m1",
+
+    "data_m2_0_m1", "data_m1_0_m1", "data_0_0_m1", "data_p1_0_m1",
+
+    "data_p2_0_m1", "data_m2_p1_m1", "data_m1_p1_m1", "data_0_p1_m1",
+
+    "data_p1_p1_m1", "data_p2_p1_m1", "data_m2_p2_m1", "data_m1_p2_m1",
+
+    "data_0_p2_m1", "data_p1_p2_m1", "data_p2_p2_m1", "data_m2_m2_0",
+
+    "data_m1_m2_0", "data_0_m2_0", "data_p1_m2_0", "data_p2_m2_0",
+
+    "data_m2_m1_0", "data_m1_m1_0", "data_0_m1_0", "data_p1_m1_0",
+
+    "data_p2_m1_0", "data_m2_0_0", "data_m1_0_0", "data_0_0_0", "data_p1_0_0",
+
+    "data_p2_0_0", "data_m2_p1_0", "data_m1_p1_0", "data_0_p1_0",
+
+    "data_p1_p1_0", "data_p2_p1_0", "data_m2_p2_0", "data_m1_p2_0",
+
+    "data_0_p2_0", "data_p1_p2_0", "data_p2_p2_0", "data_m2_m2_p1",
+
+    "data_m1_m2_p1", "data_0_m2_p1", "data_p1_m2_p1", "data_p2_m2_p1",
+
+    "data_m2_m1_p1", "data_m1_m1_p1", "data_0_m1_p1", "data_p1_m1_p1",
+
+    "data_p2_m1_p1", "data_m2_0_p1", "data_m1_0_p1", "data_0_0_p1",
+
+    "data_p1_0_p1", "data_p2_0_p1", "data_m2_p1_p1", "data_m1_p1_p1",
+
+    "data_0_p1_p1", "data_p1_p1_p1", "data_p2_p1_p1", "data_m2_p2_p1",
+
+    "data_m1_p2_p1", "data_0_p2_p1", "data_p1_p2_p1", "data_p2_p2_p1",
+
+    "data_m2_m2_p2", "data_m1_m2_p2", "data_0_m2_p2", "data_p1_m2_p2",
+
+    "data_p2_m2_p2", "data_m2_m1_p2", "data_m1_m1_p2", "data_0_m1_p2",
+
+    "data_p1_m1_p2", "data_p2_m1_p2", "data_m2_0_p2", "data_m1_0_p2",
+
+    "data_0_0_p2", "data_p1_0_p2", "data_p2_0_p2", "data_m2_p1_p2",
+
+    "data_m1_p1_p2", "data_0_p1_p2", "data_p1_p1_p2", "data_p2_p1_p2",
+
+    "data_m2_p2_p2", "data_m1_p2_p2", "data_0_p2_p2", "data_p1_p2_p2",
+
+    "data_p2_p2_p2"]
+
+> coeffs_list_3d_size5 := map(coeff_name, posn_list_3d_size5, "coeff_");
+coeffs_list_3d_size5 := ["coeff_m2_m2_m2", "coeff_m1_m2_m2", "coeff_0_m2_m2",
+
+    "coeff_p1_m2_m2", "coeff_p2_m2_m2", "coeff_m2_m1_m2", "coeff_m1_m1_m2",
+
+    "coeff_0_m1_m2", "coeff_p1_m1_m2", "coeff_p2_m1_m2", "coeff_m2_0_m2",
+
+    "coeff_m1_0_m2", "coeff_0_0_m2", "coeff_p1_0_m2", "coeff_p2_0_m2",
+
+    "coeff_m2_p1_m2", "coeff_m1_p1_m2", "coeff_0_p1_m2", "coeff_p1_p1_m2",
+
+    "coeff_p2_p1_m2", "coeff_m2_p2_m2", "coeff_m1_p2_m2", "coeff_0_p2_m2",
+
+    "coeff_p1_p2_m2", "coeff_p2_p2_m2", "coeff_m2_m2_m1", "coeff_m1_m2_m1",
+
+    "coeff_0_m2_m1", "coeff_p1_m2_m1", "coeff_p2_m2_m1", "coeff_m2_m1_m1",
+
+    "coeff_m1_m1_m1", "coeff_0_m1_m1", "coeff_p1_m1_m1", "coeff_p2_m1_m1",
+
+    "coeff_m2_0_m1", "coeff_m1_0_m1", "coeff_0_0_m1", "coeff_p1_0_m1",
+
+    "coeff_p2_0_m1", "coeff_m2_p1_m1", "coeff_m1_p1_m1", "coeff_0_p1_m1",
+
+    "coeff_p1_p1_m1", "coeff_p2_p1_m1", "coeff_m2_p2_m1", "coeff_m1_p2_m1",
+
+    "coeff_0_p2_m1", "coeff_p1_p2_m1", "coeff_p2_p2_m1", "coeff_m2_m2_0",
+
+    "coeff_m1_m2_0", "coeff_0_m2_0", "coeff_p1_m2_0", "coeff_p2_m2_0",
+
+    "coeff_m2_m1_0", "coeff_m1_m1_0", "coeff_0_m1_0", "coeff_p1_m1_0",
+
+    "coeff_p2_m1_0", "coeff_m2_0_0", "coeff_m1_0_0", "coeff_0_0_0",
+
+    "coeff_p1_0_0", "coeff_p2_0_0", "coeff_m2_p1_0", "coeff_m1_p1_0",
+
+    "coeff_0_p1_0", "coeff_p1_p1_0", "coeff_p2_p1_0", "coeff_m2_p2_0",
+
+    "coeff_m1_p2_0", "coeff_0_p2_0", "coeff_p1_p2_0", "coeff_p2_p2_0",
+
+    "coeff_m2_m2_p1", "coeff_m1_m2_p1", "coeff_0_m2_p1", "coeff_p1_m2_p1",
+
+    "coeff_p2_m2_p1", "coeff_m2_m1_p1", "coeff_m1_m1_p1", "coeff_0_m1_p1",
+
+    "coeff_p1_m1_p1", "coeff_p2_m1_p1", "coeff_m2_0_p1", "coeff_m1_0_p1",
+
+    "coeff_0_0_p1", "coeff_p1_0_p1", "coeff_p2_0_p1", "coeff_m2_p1_p1",
+
+    "coeff_m1_p1_p1", "coeff_0_p1_p1", "coeff_p1_p1_p1", "coeff_p2_p1_p1",
+
+    "coeff_m2_p2_p1", "coeff_m1_p2_p1", "coeff_0_p2_p1", "coeff_p1_p2_p1",
+
+    "coeff_p2_p2_p1", "coeff_m2_m2_p2", "coeff_m1_m2_p2", "coeff_0_m2_p2",
+
+    "coeff_p1_m2_p2", "coeff_p2_m2_p2", "coeff_m2_m1_p2", "coeff_m1_m1_p2",
+
+    "coeff_0_m1_p2", "coeff_p1_m1_p2", "coeff_p2_m1_p2", "coeff_m2_0_p2",
+
+    "coeff_m1_0_p2", "coeff_0_0_p2", "coeff_p1_0_p2", "coeff_p2_0_p2",
+
+    "coeff_m2_p1_p2", "coeff_m1_p1_p2", "coeff_0_p1_p2", "coeff_p1_p1_p2",
+
+    "coeff_p2_p1_p2", "coeff_m2_p2_p2", "coeff_m1_p2_p2", "coeff_0_p2_p2",
+
+    "coeff_p1_p2_p2", "coeff_p2_p2_p2"]
+
+> 
+> print_name_list_dcl(data_list_3d_size5, "fp",
+> 		    "3d.cube.size5/data-dcl.h");
+> print_name_list_dcl(coeffs_list_3d_size5, "fp",
+> 		    "3d.cube.size5/coeffs-dcl.h");
+> 
+> print_fetch_data(posn_list_3d_size5, "data->data_",
+> 		 "3d.cube.size5/fetch-data.c");
+> print_evaluate_molecule(posn_list_3d_size5,
+> 			"coeffs->coeff_", "data->data_",
+> 			"3d.cube.size5/evaluate-molecule.c");
+> print_store_coeffs(posn_list_3d_size5,
+> 		   "factor * coeffs->coeff_",
+> 		   "3d.cube.size5/store-coeffs.c");
+bytes used=2000360, alloc=1244956, time=0.21
+> 
+################################################################################
+> 
+#
+# generic stuff for 3d, cube, size=6
+#
+> 
+> data_list_3d_size6 := map(data_var_name, posn_list_3d_size6, "data_");
+data_list_3d_size6 := ["data_m2_m2_m2", "data_m1_m2_m2", "data_0_m2_m2",
+
+    "data_p1_m2_m2", "data_p2_m2_m2", "data_p3_m2_m2", "data_m2_m1_m2",
+
+    "data_m1_m1_m2", "data_0_m1_m2", "data_p1_m1_m2", "data_p2_m1_m2",
+
+    "data_p3_m1_m2", "data_m2_0_m2", "data_m1_0_m2", "data_0_0_m2",
+
+    "data_p1_0_m2", "data_p2_0_m2", "data_p3_0_m2", "data_m2_p1_m2",
+
+    "data_m1_p1_m2", "data_0_p1_m2", "data_p1_p1_m2", "data_p2_p1_m2",
+
+    "data_p3_p1_m2", "data_m2_p2_m2", "data_m1_p2_m2", "data_0_p2_m2",
+
+    "data_p1_p2_m2", "data_p2_p2_m2", "data_p3_p2_m2", "data_m2_p3_m2",
+
+    "data_m1_p3_m2", "data_0_p3_m2", "data_p1_p3_m2", "data_p2_p3_m2",
+
+    "data_p3_p3_m2", "data_m2_m2_m1", "data_m1_m2_m1", "data_0_m2_m1",
+
+    "data_p1_m2_m1", "data_p2_m2_m1", "data_p3_m2_m1", "data_m2_m1_m1",
+
+    "data_m1_m1_m1", "data_0_m1_m1", "data_p1_m1_m1", "data_p2_m1_m1",
+
+    "data_p3_m1_m1", "data_m2_0_m1", "data_m1_0_m1", "data_0_0_m1",
+
+    "data_p1_0_m1", "data_p2_0_m1", "data_p3_0_m1", "data_m2_p1_m1",
+
+    "data_m1_p1_m1", "data_0_p1_m1", "data_p1_p1_m1", "data_p2_p1_m1",
+
+    "data_p3_p1_m1", "data_m2_p2_m1", "data_m1_p2_m1", "data_0_p2_m1",
+
+    "data_p1_p2_m1", "data_p2_p2_m1", "data_p3_p2_m1", "data_m2_p3_m1",
+
+    "data_m1_p3_m1", "data_0_p3_m1", "data_p1_p3_m1", "data_p2_p3_m1",
+
+    "data_p3_p3_m1", "data_m2_m2_0", "data_m1_m2_0", "data_0_m2_0",
+
+    "data_p1_m2_0", "data_p2_m2_0", "data_p3_m2_0", "data_m2_m1_0",
+
+    "data_m1_m1_0", "data_0_m1_0", "data_p1_m1_0", "data_p2_m1_0",
+
+    "data_p3_m1_0", "data_m2_0_0", "data_m1_0_0", "data_0_0_0", "data_p1_0_0",
+
+    "data_p2_0_0", "data_p3_0_0", "data_m2_p1_0", "data_m1_p1_0", "data_0_p1_0",
+
+    "data_p1_p1_0", "data_p2_p1_0", "data_p3_p1_0", "data_m2_p2_0",
+
+    "data_m1_p2_0", "data_0_p2_0", "data_p1_p2_0", "data_p2_p2_0",
+
+    "data_p3_p2_0", "data_m2_p3_0", "data_m1_p3_0", "data_0_p3_0",
+
+    "data_p1_p3_0", "data_p2_p3_0", "data_p3_p3_0", "data_m2_m2_p1",
+
+    "data_m1_m2_p1", "data_0_m2_p1", "data_p1_m2_p1", "data_p2_m2_p1",
+
+    "data_p3_m2_p1", "data_m2_m1_p1", "data_m1_m1_p1", "data_0_m1_p1",
+
+    "data_p1_m1_p1", "data_p2_m1_p1", "data_p3_m1_p1", "data_m2_0_p1",
+
+    "data_m1_0_p1", "data_0_0_p1", "data_p1_0_p1", "data_p2_0_p1",
+
+    "data_p3_0_p1", "data_m2_p1_p1", "data_m1_p1_p1", "data_0_p1_p1",
+
+    "data_p1_p1_p1", "data_p2_p1_p1", "data_p3_p1_p1", "data_m2_p2_p1",
+
+    "data_m1_p2_p1", "data_0_p2_p1", "data_p1_p2_p1", "data_p2_p2_p1",
+
+    "data_p3_p2_p1", "data_m2_p3_p1", "data_m1_p3_p1", "data_0_p3_p1",
+
+    "data_p1_p3_p1", "data_p2_p3_p1", "data_p3_p3_p1", "data_m2_m2_p2",
+
+    "data_m1_m2_p2", "data_0_m2_p2", "data_p1_m2_p2", "data_p2_m2_p2",
+
+    "data_p3_m2_p2", "data_m2_m1_p2", "data_m1_m1_p2", "data_0_m1_p2",
+
+    "data_p1_m1_p2", "data_p2_m1_p2", "data_p3_m1_p2", "data_m2_0_p2",
+
+    "data_m1_0_p2", "data_0_0_p2", "data_p1_0_p2", "data_p2_0_p2",
+
+    "data_p3_0_p2", "data_m2_p1_p2", "data_m1_p1_p2", "data_0_p1_p2",
+
+    "data_p1_p1_p2", "data_p2_p1_p2", "data_p3_p1_p2", "data_m2_p2_p2",
+
+    "data_m1_p2_p2", "data_0_p2_p2", "data_p1_p2_p2", "data_p2_p2_p2",
+
+    "data_p3_p2_p2", "data_m2_p3_p2", "data_m1_p3_p2", "data_0_p3_p2",
+
+    "data_p1_p3_p2", "data_p2_p3_p2", "data_p3_p3_p2", "data_m2_m2_p3",
+
+    "data_m1_m2_p3", "data_0_m2_p3", "data_p1_m2_p3", "data_p2_m2_p3",
+
+    "data_p3_m2_p3", "data_m2_m1_p3", "data_m1_m1_p3", "data_0_m1_p3",
+
+    "data_p1_m1_p3", "data_p2_m1_p3", "data_p3_m1_p3", "data_m2_0_p3",
+
+    "data_m1_0_p3", "data_0_0_p3", "data_p1_0_p3", "data_p2_0_p3",
+
+    "data_p3_0_p3", "data_m2_p1_p3", "data_m1_p1_p3", "data_0_p1_p3",
+
+    "data_p1_p1_p3", "data_p2_p1_p3", "data_p3_p1_p3", "data_m2_p2_p3",
+
+    "data_m1_p2_p3", "data_0_p2_p3", "data_p1_p2_p3", "data_p2_p2_p3",
+
+    "data_p3_p2_p3", "data_m2_p3_p3", "data_m1_p3_p3", "data_0_p3_p3",
+
+    "data_p1_p3_p3", "data_p2_p3_p3", "data_p3_p3_p3"]
+
+> coeffs_list_3d_size6 := map(coeff_name, posn_list_3d_size6, "coeff_");
+coeffs_list_3d_size6 := ["coeff_m2_m2_m2", "coeff_m1_m2_m2", "coeff_0_m2_m2",
+
+    "coeff_p1_m2_m2", "coeff_p2_m2_m2", "coeff_p3_m2_m2", "coeff_m2_m1_m2",
+
+    "coeff_m1_m1_m2", "coeff_0_m1_m2", "coeff_p1_m1_m2", "coeff_p2_m1_m2",
+
+    "coeff_p3_m1_m2", "coeff_m2_0_m2", "coeff_m1_0_m2", "coeff_0_0_m2",
+
+    "coeff_p1_0_m2", "coeff_p2_0_m2", "coeff_p3_0_m2", "coeff_m2_p1_m2",
+
+    "coeff_m1_p1_m2", "coeff_0_p1_m2", "coeff_p1_p1_m2", "coeff_p2_p1_m2",
+
+    "coeff_p3_p1_m2", "coeff_m2_p2_m2", "coeff_m1_p2_m2", "coeff_0_p2_m2",
+
+    "coeff_p1_p2_m2", "coeff_p2_p2_m2", "coeff_p3_p2_m2", "coeff_m2_p3_m2",
+
+    "coeff_m1_p3_m2", "coeff_0_p3_m2", "coeff_p1_p3_m2", "coeff_p2_p3_m2",
+
+    "coeff_p3_p3_m2", "coeff_m2_m2_m1", "coeff_m1_m2_m1", "coeff_0_m2_m1",
+
+    "coeff_p1_m2_m1", "coeff_p2_m2_m1", "coeff_p3_m2_m1", "coeff_m2_m1_m1",
+
+    "coeff_m1_m1_m1", "coeff_0_m1_m1", "coeff_p1_m1_m1", "coeff_p2_m1_m1",
+
+    "coeff_p3_m1_m1", "coeff_m2_0_m1", "coeff_m1_0_m1", "coeff_0_0_m1",
+
+    "coeff_p1_0_m1", "coeff_p2_0_m1", "coeff_p3_0_m1", "coeff_m2_p1_m1",
+
+    "coeff_m1_p1_m1", "coeff_0_p1_m1", "coeff_p1_p1_m1", "coeff_p2_p1_m1",
+
+    "coeff_p3_p1_m1", "coeff_m2_p2_m1", "coeff_m1_p2_m1", "coeff_0_p2_m1",
+
+    "coeff_p1_p2_m1", "coeff_p2_p2_m1", "coeff_p3_p2_m1", "coeff_m2_p3_m1",
+
+    "coeff_m1_p3_m1", "coeff_0_p3_m1", "coeff_p1_p3_m1", "coeff_p2_p3_m1",
+
+    "coeff_p3_p3_m1", "coeff_m2_m2_0", "coeff_m1_m2_0", "coeff_0_m2_0",
+
+    "coeff_p1_m2_0", "coeff_p2_m2_0", "coeff_p3_m2_0", "coeff_m2_m1_0",
+
+    "coeff_m1_m1_0", "coeff_0_m1_0", "coeff_p1_m1_0", "coeff_p2_m1_0",
+
+    "coeff_p3_m1_0", "coeff_m2_0_0", "coeff_m1_0_0", "coeff_0_0_0",
+
+    "coeff_p1_0_0", "coeff_p2_0_0", "coeff_p3_0_0", "coeff_m2_p1_0",
+
+    "coeff_m1_p1_0", "coeff_0_p1_0", "coeff_p1_p1_0", "coeff_p2_p1_0",
+
+    "coeff_p3_p1_0", "coeff_m2_p2_0", "coeff_m1_p2_0", "coeff_0_p2_0",
+
+    "coeff_p1_p2_0", "coeff_p2_p2_0", "coeff_p3_p2_0", "coeff_m2_p3_0",
+
+    "coeff_m1_p3_0", "coeff_0_p3_0", "coeff_p1_p3_0", "coeff_p2_p3_0",
+
+    "coeff_p3_p3_0", "coeff_m2_m2_p1", "coeff_m1_m2_p1", "coeff_0_m2_p1",
+
+    "coeff_p1_m2_p1", "coeff_p2_m2_p1", "coeff_p3_m2_p1", "coeff_m2_m1_p1",
+
+    "coeff_m1_m1_p1", "coeff_0_m1_p1", "coeff_p1_m1_p1", "coeff_p2_m1_p1",
+
+    "coeff_p3_m1_p1", "coeff_m2_0_p1", "coeff_m1_0_p1", "coeff_0_0_p1",
+
+    "coeff_p1_0_p1", "coeff_p2_0_p1", "coeff_p3_0_p1", "coeff_m2_p1_p1",
+
+    "coeff_m1_p1_p1", "coeff_0_p1_p1", "coeff_p1_p1_p1", "coeff_p2_p1_p1",
+
+    "coeff_p3_p1_p1", "coeff_m2_p2_p1", "coeff_m1_p2_p1", "coeff_0_p2_p1",
+
+    "coeff_p1_p2_p1", "coeff_p2_p2_p1", "coeff_p3_p2_p1", "coeff_m2_p3_p1",
+
+    "coeff_m1_p3_p1", "coeff_0_p3_p1", "coeff_p1_p3_p1", "coeff_p2_p3_p1",
+
+    "coeff_p3_p3_p1", "coeff_m2_m2_p2", "coeff_m1_m2_p2", "coeff_0_m2_p2",
+
+    "coeff_p1_m2_p2", "coeff_p2_m2_p2", "coeff_p3_m2_p2", "coeff_m2_m1_p2",
+
+    "coeff_m1_m1_p2", "coeff_0_m1_p2", "coeff_p1_m1_p2", "coeff_p2_m1_p2",
+
+    "coeff_p3_m1_p2", "coeff_m2_0_p2", "coeff_m1_0_p2", "coeff_0_0_p2",
+
+    "coeff_p1_0_p2", "coeff_p2_0_p2", "coeff_p3_0_p2", "coeff_m2_p1_p2",
+
+    "coeff_m1_p1_p2", "coeff_0_p1_p2", "coeff_p1_p1_p2", "coeff_p2_p1_p2",
+
+    "coeff_p3_p1_p2", "coeff_m2_p2_p2", "coeff_m1_p2_p2", "coeff_0_p2_p2",
+
+    "coeff_p1_p2_p2", "coeff_p2_p2_p2", "coeff_p3_p2_p2", "coeff_m2_p3_p2",
+
+    "coeff_m1_p3_p2", "coeff_0_p3_p2", "coeff_p1_p3_p2", "coeff_p2_p3_p2",
+
+    "coeff_p3_p3_p2", "coeff_m2_m2_p3", "coeff_m1_m2_p3", "coeff_0_m2_p3",
+
+    "coeff_p1_m2_p3", "coeff_p2_m2_p3", "coeff_p3_m2_p3", "coeff_m2_m1_p3",
+
+    "coeff_m1_m1_p3", "coeff_0_m1_p3", "coeff_p1_m1_p3", "coeff_p2_m1_p3",
+
+    "coeff_p3_m1_p3", "coeff_m2_0_p3", "coeff_m1_0_p3", "coeff_0_0_p3",
+
+    "coeff_p1_0_p3", "coeff_p2_0_p3", "coeff_p3_0_p3", "coeff_m2_p1_p3",
+
+    "coeff_m1_p1_p3", "coeff_0_p1_p3", "coeff_p1_p1_p3", "coeff_p2_p1_p3",
+
+    "coeff_p3_p1_p3", "coeff_m2_p2_p3", "coeff_m1_p2_p3", "coeff_0_p2_p3",
+
+    "coeff_p1_p2_p3", "coeff_p2_p2_p3", "coeff_p3_p2_p3", "coeff_m2_p3_p3",
+
+    "coeff_m1_p3_p3", "coeff_0_p3_p3", "coeff_p1_p3_p3", "coeff_p2_p3_p3",
+
+    "coeff_p3_p3_p3"]
+
+> 
+> print_name_list_dcl(data_list_3d_size6, "fp",
+> 		    "3d.cube.size6/data-dcl.h");
+> print_name_list_dcl(coeffs_list_3d_size6, "fp",
+> 		    "3d.cube.size6/coeffs-dcl.h");
+> 
+> print_fetch_data(posn_list_3d_size6, "data->data_",
+> 		 "3d.cube.size6/fetch-data.c");
+> print_evaluate_molecule(posn_list_3d_size6,
+> 			"coeffs->coeff_", "data->data_",
+> 			"3d.cube.size6/evaluate-molecule.c");
+bytes used=3000572, alloc=1310480, time=0.30
+> print_store_coeffs(posn_list_3d_size6,
+> 		   "factor * coeffs->coeff_",
+> 		   "3d.cube.size6/store-coeffs.c");
+> quit
+bytes used=3528664, alloc=1310480, time=0.36
diff --git a/src/common/3d.maple b/src/common/3d.maple
new file mode 100644
index 0000000..6e60822
--- /dev/null
+++ b/src/common/3d.maple
@@ -0,0 +1,117 @@
+# Maple code to compute common coefficients for all 3d interpolation schemes
+# $Header$
+
+################################################################################
+
+#
+# generic stuff for 3d, cube, size=2
+#
+
+data_list_3d_size2 := map(data_var_name, posn_list_3d_size2, "data_");
+coeffs_list_3d_size2 := map(coeff_name, posn_list_3d_size2, "coeff_");
+
+print_name_list_dcl(data_list_3d_size2, "fp",
+		    "3d.cube.size2/data-dcl.h");
+print_name_list_dcl(coeffs_list_3d_size2, "fp",
+		    "3d.cube.size2/coeffs-dcl.h");
+
+print_load_data(posn_list_3d_size2, "data->data_",
+		"3d.cube.size2/load-data.c");
+print_evaluate_molecule(posn_list_3d_size2,
+			"coeffs->coeff_", "data->data_",
+			"3d.cube.size2/evaluate-molecule.c");
+print_store_coeffs(posn_list_3d_size2,
+		   "factor * coeffs->coeff_",
+		   "3d.cube.size2/store-coeffs.c");
+
+################################################################################
+
+#
+# generic stuff for 3d, cube, size=3
+#
+
+data_list_3d_size3 := map(data_var_name, posn_list_3d_size3, "data_");
+coeffs_list_3d_size3 := map(coeff_name, posn_list_3d_size3, "coeff_");
+
+print_name_list_dcl(data_list_3d_size3, "fp",
+		    "3d.cube.size3/data-dcl.h");
+print_name_list_dcl(coeffs_list_3d_size3, "fp",
+		    "3d.cube.size3/coeffs-dcl.h");
+
+print_load_data(posn_list_3d_size3, "data->data_",
+		"3d.cube.size3/load-data.c");
+print_evaluate_molecule(posn_list_3d_size3,
+			"coeffs->coeff_", "data->data_",
+			"3d.cube.size3/evaluate-molecule.c");
+print_store_coeffs(posn_list_3d_size3,
+		   "factor * coeffs->coeff_",
+		   "3d.cube.size3/store-coeffs.c");
+
+################################################################################
+
+#
+# generic stuff for 3d, cube, size=4
+#
+
+data_list_3d_size4 := map(data_var_name, posn_list_3d_size4, "data_");
+coeffs_list_3d_size4 := map(coeff_name, posn_list_3d_size4, "coeff_");
+
+print_name_list_dcl(data_list_3d_size4, "fp",
+		    "3d.cube.size4/data-dcl.h");
+print_name_list_dcl(coeffs_list_3d_size4, "fp",
+		    "3d.cube.size4/coeffs-dcl.h");
+
+print_load_data(posn_list_3d_size4, "data->data_",
+		 "3d.cube.size4/load-data.c");
+print_evaluate_molecule(posn_list_3d_size4,
+			"coeffs->coeff_", "data->data_",
+			"3d.cube.size4/evaluate-molecule.c");
+print_store_coeffs(posn_list_3d_size4,
+		   "factor * coeffs->coeff_",
+		   "3d.cube.size4/store-coeffs.c");
+
+################################################################################
+
+#
+# generic stuff for 3d, cube, size=5
+#
+
+data_list_3d_size5 := map(data_var_name, posn_list_3d_size5, "data_");
+coeffs_list_3d_size5 := map(coeff_name, posn_list_3d_size5, "coeff_");
+
+print_name_list_dcl(data_list_3d_size5, "fp",
+		    "3d.cube.size5/data-dcl.h");
+print_name_list_dcl(coeffs_list_3d_size5, "fp",
+		    "3d.cube.size5/coeffs-dcl.h");
+
+print_load_data(posn_list_3d_size5, "data->data_",
+		"3d.cube.size5/load-data.c");
+print_evaluate_molecule(posn_list_3d_size5,
+			"coeffs->coeff_", "data->data_",
+			"3d.cube.size5/evaluate-molecule.c");
+print_store_coeffs(posn_list_3d_size5,
+		   "factor * coeffs->coeff_",
+		   "3d.cube.size5/store-coeffs.c");
+
+################################################################################
+
+#
+# generic stuff for 3d, cube, size=6
+#
+
+data_list_3d_size6 := map(data_var_name, posn_list_3d_size6, "data_");
+coeffs_list_3d_size6 := map(coeff_name, posn_list_3d_size6, "coeff_");
+
+print_name_list_dcl(data_list_3d_size6, "fp",
+		    "3d.cube.size6/data-dcl.h");
+print_name_list_dcl(coeffs_list_3d_size6, "fp",
+		    "3d.cube.size6/coeffs-dcl.h");
+
+print_load_data(posn_list_3d_size6, "data->data_",
+		"3d.cube.size6/load-data.c");
+print_evaluate_molecule(posn_list_3d_size6,
+			"coeffs->coeff_", "data->data_",
+			"3d.cube.size6/evaluate-molecule.c");
+print_store_coeffs(posn_list_3d_size6,
+		   "factor * coeffs->coeff_",
+		   "3d.cube.size6/store-coeffs.c");
diff --git a/src/common/README b/src/common/README
new file mode 100644
index 0000000..cf22912
--- /dev/null
+++ b/src/common/README
@@ -0,0 +1,6 @@
+This directory contains Maple code to generate machine-generated coefficient
+files which are common to multiple interpolation operators.  In practice
+these files depend only on the dimensionality and the molecule size/shape
+(eg 3d, cube, size 4).
+
+The subdirectories contain the actual machine-generated files.
diff --git a/src/common/cube_posns.maple b/src/common/cube_posns.maple
new file mode 100644
index 0000000..2431e82
--- /dev/null
+++ b/src/common/cube_posns.maple
@@ -0,0 +1,46 @@
+# Maple code to compute lists of point positions in hypercube-shaped molecules
+# $Header$
+
+################################################################################
+
+#
+# 1D interpolation points
+#
+posn_list_1d_size2 := hypercube_points([ 0], [+1]);
+posn_list_1d_size3 := hypercube_points([-1], [+1]);
+posn_list_1d_size4 := hypercube_points([-1], [+2]);
+posn_list_1d_size5 := hypercube_points([-2], [+2]);
+posn_list_1d_size6 := hypercube_points([-2], [+3]);
+posn_list_1d_size7 := hypercube_points([-3], [+3]);
+
+################################################################################
+
+#
+# 2D interpolation points (Fortran ordering)
+#
+posn_list_2d_size2 := map(ListTools[Reverse],
+			  hypercube_points([ 0, 0], [+1,+1]));
+posn_list_2d_size3 := map(ListTools[Reverse],
+			  hypercube_points([-1,-1], [+1,+1]));
+posn_list_2d_size4 := map(ListTools[Reverse],
+			  hypercube_points([-1,-1], [+2,+2]));
+posn_list_2d_size5 := map(ListTools[Reverse],
+			  hypercube_points([-2,-2], [+2,+2]));
+posn_list_2d_size6 := map(ListTools[Reverse],
+			  hypercube_points([-2,-2], [+3,+3]));
+
+################################################################################
+
+#
+# 3D interpolation points (Fortran ordering)
+#
+posn_list_3d_size2 := map(ListTools[Reverse],
+			  hypercube_points([ 0, 0, 0], [+1,+1,+1]));
+posn_list_3d_size3 := map(ListTools[Reverse],
+			  hypercube_points([-1,-1,-1], [+1,+1,+1]));
+posn_list_3d_size4 := map(ListTools[Reverse],
+			  hypercube_points([-1,-1,-1], [+2,+2,+2]));
+posn_list_3d_size5 := map(ListTools[Reverse],
+			  hypercube_points([-2,-2,-2], [+2,+2,+2]));
+posn_list_3d_size6 := map(ListTools[Reverse],
+			  hypercube_points([-2,-2,-2], [+3,+3,+3]));
diff --git a/src/common/evaluate.c b/src/common/evaluate.c
new file mode 100644
index 0000000..60156b3
--- /dev/null
+++ b/src/common/evaluate.c
@@ -0,0 +1,138 @@
+/* evaluate.c -- evaluate a molecule (as a linear combination of the data) */
+/* $Header$ */
+
+#include "cctk.h"
+#include "../InterpLocalUniform.h"
+
+#include "structs.h"
+#include "evaluate.h"
+
+/******************************************************************************/
+
+/*
+ * 1-D routines
+ */
+
+fp AEILocalInterp_eval_1dcube2(const struct coeffs_struct_1d_cube_size2 *coeffs,
+			       const struct data_struct_1d_cube_size2 *data)
+{
+return
+  #include "1d.cube.size2/evaluate-molecule.c"
+}
+
+fp AEILocalInterp_eval_1dcube3(const struct coeffs_struct_1d_cube_size3 *coeffs,
+			       const struct data_struct_1d_cube_size3 *data)
+{
+return
+  #include "1d.cube.size3/evaluate-molecule.c"
+}
+
+fp AEILocalInterp_eval_1dcube4(const struct coeffs_struct_1d_cube_size4 *coeffs,
+			       const struct data_struct_1d_cube_size4 *data)
+{
+return
+  #include "1d.cube.size4/evaluate-molecule.c"
+}
+
+fp AEILocalInterp_eval_1dcube5(const struct coeffs_struct_1d_cube_size5 *coeffs,
+			       const struct data_struct_1d_cube_size5 *data)
+{
+return
+  #include "1d.cube.size5/evaluate-molecule.c"
+}
+
+fp AEILocalInterp_eval_1dcube6(const struct coeffs_struct_1d_cube_size6 *coeffs,
+			       const struct data_struct_1d_cube_size6 *data)
+{
+return
+  #include "1d.cube.size6/evaluate-molecule.c"
+}
+
+fp AEILocalInterp_eval_1dcube7(const struct coeffs_struct_1d_cube_size7 *coeffs,
+			       const struct data_struct_1d_cube_size7 *data)
+{
+return
+  #include "1d.cube.size7/evaluate-molecule.c"
+}
+
+/******************************************************************************/
+
+/*
+ * 2-D routines
+ */
+
+fp AEILocalInterp_eval_2dcube2(const struct coeffs_struct_2d_cube_size2 *coeffs,
+			       const struct data_struct_2d_cube_size2 *data)
+{
+return
+  #include "2d.cube.size2/evaluate-molecule.c"
+}
+
+fp AEILocalInterp_eval_2dcube3(const struct coeffs_struct_2d_cube_size3 *coeffs,
+			       const struct data_struct_2d_cube_size3 *data)
+{
+return
+  #include "2d.cube.size3/evaluate-molecule.c"
+}
+
+fp AEILocalInterp_eval_2dcube4(const struct coeffs_struct_2d_cube_size4 *coeffs,
+			       const struct data_struct_2d_cube_size4 *data)
+{
+return
+  #include "2d.cube.size4/evaluate-molecule.c"
+}
+
+fp AEILocalInterp_eval_2dcube5(const struct coeffs_struct_2d_cube_size5 *coeffs,
+			       const struct data_struct_2d_cube_size5 *data)
+{
+return
+  #include "2d.cube.size5/evaluate-molecule.c"
+}
+
+fp AEILocalInterp_eval_2dcube6(const struct coeffs_struct_2d_cube_size6 *coeffs,
+			       const struct data_struct_2d_cube_size6 *data)
+{
+return
+  #include "2d.cube.size6/evaluate-molecule.c"
+}
+
+/******************************************************************************/
+
+/*
+ * 3-D routines
+ */
+
+fp AEILocalInterp_eval_3dcube2(const struct coeffs_struct_3d_cube_size2 *coeffs,
+			       const struct data_struct_3d_cube_size2 *data)
+{
+return
+  #include "3d.cube.size2/evaluate-molecule.c"
+}
+
+fp AEILocalInterp_eval_3dcube3(const struct coeffs_struct_3d_cube_size3 *coeffs,
+			       const struct data_struct_3d_cube_size3 *data)
+{
+return
+  #include "3d.cube.size3/evaluate-molecule.c"
+}
+
+fp AEILocalInterp_eval_3dcube4(const struct coeffs_struct_3d_cube_size4 *coeffs,
+			       const struct data_struct_3d_cube_size4 *data)
+{
+return
+  #include "3d.cube.size4/evaluate-molecule.c"
+}
+
+fp AEILocalInterp_eval_3dcube5(const struct coeffs_struct_3d_cube_size5 *coeffs,
+			       const struct data_struct_3d_cube_size5 *data)
+{
+return
+  #include "3d.cube.size5/evaluate-molecule.c"
+}
+
+fp AEILocalInterp_eval_3dcube6(const struct coeffs_struct_3d_cube_size6 *coeffs,
+			       const struct data_struct_3d_cube_size6 *data)
+{
+return
+  #include "3d.cube.size6/evaluate-molecule.c"
+}
diff --git a/src/common/evaluate.h b/src/common/evaluate.h
new file mode 100644
index 0000000..4e2046a
--- /dev/null
+++ b/src/common/evaluate.h
@@ -0,0 +1,44 @@
+/* evaluate.h -- evaluate a molecule (as a linear combination of the data) */
+/* $Header$ */
+
+/*
+ * prerequisite headers:
+ *	"cctk.h"
+ *	"../InterpLocalUniform.h"
+ *	"structs.h"
+ */
+
+fp AEILocalInterp_eval_1dcube2(const struct coeffs_struct_1d_cube_size2 *coeffs,
+			       const struct data_struct_1d_cube_size2 *data);
+fp AEILocalInterp_eval_1dcube3(const struct coeffs_struct_1d_cube_size3 *coeffs,
+			       const struct data_struct_1d_cube_size3 *data);
+fp AEILocalInterp_eval_1dcube4(const struct coeffs_struct_1d_cube_size4 *coeffs,
+			       const struct data_struct_1d_cube_size4 *data);
+fp AEILocalInterp_eval_1dcube5(const struct coeffs_struct_1d_cube_size5 *coeffs,
+			       const struct data_struct_1d_cube_size5 *data);
+fp AEILocalInterp_eval_1dcube6(const struct coeffs_struct_1d_cube_size6 *coeffs,
+			       const struct data_struct_1d_cube_size6 *data);
+fp AEILocalInterp_eval_1dcube7(const struct coeffs_struct_1d_cube_size7 *coeffs,
+			       const struct data_struct_1d_cube_size7 *data);
+
+fp AEILocalInterp_eval_2dcube2(const struct coeffs_struct_2d_cube_size2 *coeffs,
+			       const struct data_struct_2d_cube_size2 *data);
+fp AEILocalInterp_eval_2dcube3(const struct coeffs_struct_2d_cube_size3 *coeffs,
+			       const struct data_struct_2d_cube_size3 *data);
+fp AEILocalInterp_eval_2dcube4(const struct coeffs_struct_2d_cube_size4 *coeffs,
+			       const struct data_struct_2d_cube_size4 *data);
+fp AEILocalInterp_eval_2dcube5(const struct coeffs_struct_2d_cube_size5 *coeffs,
+			       const struct data_struct_2d_cube_size5 *data);
+fp AEILocalInterp_eval_2dcube6(const struct coeffs_struct_2d_cube_size6 *coeffs,
+			       const struct data_struct_2d_cube_size6 *data);
+
+fp AEILocalInterp_eval_3dcube2(const struct coeffs_struct_3d_cube_size2 *coeffs,
+			       const struct data_struct_3d_cube_size2 *data);
+fp AEILocalInterp_eval_3dcube3(const struct coeffs_struct_3d_cube_size3 *coeffs,
+			       const struct data_struct_3d_cube_size3 *data);
+fp AEILocalInterp_eval_3dcube4(const struct coeffs_struct_3d_cube_size4 *coeffs,
+			       const struct data_struct_3d_cube_size4 *data);
+fp AEILocalInterp_eval_3dcube5(const struct coeffs_struct_3d_cube_size5 *coeffs,
+			       const struct data_struct_3d_cube_size5 *data);
+fp AEILocalInterp_eval_3dcube6(const struct coeffs_struct_3d_cube_size6 *coeffs,
+			       const struct data_struct_3d_cube_size6 *data);
diff --git a/src/common/load-template.c b/src/common/load-template.c
new file mode 100644
index 0000000..5caa23b
--- /dev/null
+++ b/src/common/load-template.c
@@ -0,0 +1,94 @@
+/* load-template.c -- template for load functions */
+/* $Header$ */
+
+/*
+ * Each of the functions defined in this file loades a molecule-sized
+ * piece of an input array into a data struct.  There is one function for
+ * each combination of molecule size and input array datatype.
+ */
+
+/******************************************************************************/
+
+/*
+ * load-data routines for real datatypes
+ */
+
+#undef  DATA
+#define DATA	DATA_REAL
+
+void LOAD_FUNCTION_NAME(r)(const CCTK_REAL *ptr,
+			   INT_STRIDE_IJK,
+			  struct DATA_STRUCT *data)
+{
+#include LOAD_DATA_FILE_NAME
+}
+
+#ifdef HAVE_CCTK_REAL4
+  void LOAD_FUNCTION_NAME(r4)(const CCTK_REAL4 *ptr,
+			      INT_STRIDE_IJK,
+			      struct DATA_STRUCT *data)
+  {
+  #include LOAD_DATA_FILE_NAME
+  }
+#endif
+
+#ifdef HAVE_CCTK_REAL8
+  void LOAD_FUNCTION_NAME(r8)(const CCTK_REAL8 *ptr,
+			      INT_STRIDE_IJK,
+			      struct DATA_STRUCT *data)
+  {
+  #include LOAD_DATA_FILE_NAME
+  }
+#endif
+
+#ifdef HAVE_CCTK_REAL16
+  void LOAD_FUNCTION_NAME(r16)(const CCTK_REAL16 *ptr,
+				INT_STRIDE_IJK,
+				struct DATA_STRUCT *data)
+  {
+  #include LOAD_DATA_FILE_NAME
+  }
+#endif
+
+/******************************************************************************/
+
+/*
+ * load-data routines for complex datatypes
+ */
+
+#undef  DATA
+#define DATA	DATA_COMPLEX
+
+void LOAD_FUNCTION_NAME(c)(const CCTK_REAL (*ptr)[COMPLEX_N_PARTS],
+			   INT_STRIDE_IJK, int part,
+			   struct DATA_STRUCT *data)
+{
+#include LOAD_DATA_FILE_NAME
+}
+
+#ifdef HAVE_CCTK_COMPLEX8
+  void LOAD_FUNCTION_NAME(c8)(const CCTK_REAL4 (*ptr)[COMPLEX_N_PARTS],
+			      INT_STRIDE_IJK, int part,
+			      struct DATA_STRUCT *data)
+  {
+  #include LOAD_DATA_FILE_NAME
+  }
+#endif
+
+#ifdef HAVE_CCTK_COMPLEX16
+  void LOAD_FUNCTION_NAME(c16)(const CCTK_REAL8 (*ptr)[COMPLEX_N_PARTS],
+				INT_STRIDE_IJK, int part,
+				struct DATA_STRUCT *data)
+  {
+  #include LOAD_DATA_FILE_NAME
+  }
+#endif
+
+#ifdef HAVE_CCTK_COMPLEX32
+  void LOAD_FUNCTION_NAME(c32)(const CCTK_REAL16 (*ptr)[COMPLEX_N_PARTS],
+				INT_STRIDE_IJK, int part,
+				struct DATA_STRUCT *data)
+  {
+  #include LOAD_DATA_FILE_NAME
+  }
+#endif
diff --git a/src/common/load-template.h b/src/common/load-template.h
new file mode 100644
index 0000000..08cdfd4
--- /dev/null
+++ b/src/common/load-template.h
@@ -0,0 +1,69 @@
+/* load-template.h -- prototype template for load functions */
+/* $Header$ */
+
+/*
+ * Each of the functions defined in this file loades a molecule-sized
+ * piece of an input array into a data struct.  There is one function for
+ * each combination of molecule size and input array datatype.
+ *
+ * The following macros should be #defined
+ *	LOAD_FUNCTION_NAME
+ *	INT_STRIDE_IJK
+ *	DATA_STRUCT
+ */
+
+/******************************************************************************/
+
+/*
+ * load-data routines for real datatypes
+ */
+
+void LOAD_FUNCTION_NAME(r)(const CCTK_REAL *ptr,
+			   INT_STRIDE_IJK,
+			   struct DATA_STRUCT *data);
+
+#ifdef HAVE_CCTK_REAL4
+  void LOAD_FUNCTION_NAME(r4)(const CCTK_REAL4 *ptr,
+			      INT_STRIDE_IJK,
+			      struct DATA_STRUCT *data);
+#endif
+
+#ifdef HAVE_CCTK_REAL8
+  void LOAD_FUNCTION_NAME(r8)(const CCTK_REAL8 *ptr,
+			      INT_STRIDE_IJK,
+			      struct DATA_STRUCT *data);
+#endif
+
+#ifdef HAVE_CCTK_REAL16
+  void LOAD_FUNCTION_NAME(r16)(const CCTK_REAL16 *ptr,
+				INT_STRIDE_IJK,
+				struct DATA_STRUCT *data);
+#endif
+
+/******************************************************************************/
+
+/*
+ * load-data routines for complex datatypes
+ */
+
+void LOAD_FUNCTION_NAME(c)(const CCTK_REAL (*ptr)[COMPLEX_N_PARTS],
+			   INT_STRIDE_IJK, int part,
+			   struct DATA_STRUCT *data);
+
+#ifdef HAVE_CCTK_COMPLEX8
+  void LOAD_FUNCTION_NAME(c8)(const CCTK_REAL4 (*ptr)[COMPLEX_N_PARTS],
+			      INT_STRIDE_IJK, int part,
+			      struct DATA_STRUCT *data);
+#endif
+
+#ifdef HAVE_CCTK_COMPLEX16
+  void LOAD_FUNCTION_NAME(c16)(const CCTK_REAL8 (*ptr)[COMPLEX_N_PARTS],
+				INT_STRIDE_IJK, int part,
+				struct DATA_STRUCT *data);
+#endif
+
+#ifdef HAVE_CCTK_COMPLEX32
+  void LOAD_FUNCTION_NAME(c32)(const CCTK_REAL16 (*ptr)[COMPLEX_N_PARTS],
+				INT_STRIDE_IJK, int part,
+				struct DATA_STRUCT *data);
+#endif
diff --git a/src/common/load.c b/src/common/load.c
new file mode 100644
index 0000000..6272b74
--- /dev/null
+++ b/src/common/load.c
@@ -0,0 +1,179 @@
+/* load.c -- load molecule-sized piece of input array into struct data */
+/* $Header$ */
+
+#include "cctk.h"
+#include "../InterpLocalUniform.h"
+
+#include "structs.h"
+#include "load.h"
+
+/******************************************************************************/
+
+/*
+ * 1-D routines
+ */
+
+#undef  INT_STRIDE_IJK
+#define INT_STRIDE_IJK		int stride_i
+#undef  DATA_REAL
+#define DATA_REAL(mi)		ptr[stride_i*mi]
+#undef  DATA_COMPLEX
+#define DATA_COMPLEX(mi)	ptr[stride_i*mi][part]
+
+#undef  LOAD_FUNCTION_NAME
+#define LOAD_FUNCTION_NAME(type)	AEILocalInterp_load_1dcube2_ ## type
+#undef  DATA_STRUCT
+#define DATA_STRUCT			data_struct_1d_cube_size2
+#undef  LOAD_DATA_FILE_NAME
+#define LOAD_DATA_FILE_NAME		"1d.cube.size2/load-data.c"
+#include "load-template.c"
+
+#undef  LOAD_FUNCTION_NAME
+#define LOAD_FUNCTION_NAME(type)	AEILocalInterp_load_1dcube3_ ## type
+#undef  DATA_STRUCT
+#define DATA_STRUCT			data_struct_1d_cube_size3
+#undef  LOAD_DATA_FILE_NAME
+#define LOAD_DATA_FILE_NAME		"1d.cube.size3/load-data.c"
+#include "load-template.c"
+
+#undef  LOAD_FUNCTION_NAME
+#define LOAD_FUNCTION_NAME(type)	AEILocalInterp_load_1dcube4_ ## type
+#undef  DATA_STRUCT
+#define DATA_STRUCT			data_struct_1d_cube_size4
+#undef  LOAD_DATA_FILE_NAME
+#define LOAD_DATA_FILE_NAME		"1d.cube.size4/load-data.c"
+#include "load-template.c"
+
+#undef  LOAD_FUNCTION_NAME
+#define LOAD_FUNCTION_NAME(type)	AEILocalInterp_load_1dcube5_ ## type
+#undef  DATA_STRUCT
+#define DATA_STRUCT			data_struct_1d_cube_size5
+#undef  LOAD_DATA_FILE_NAME
+#define LOAD_DATA_FILE_NAME		"1d.cube.size5/load-data.c"
+#include "load-template.c"
+#undef  LOAD_FUNCTION_NAME_PREFIX
+
+#undef  LOAD_FUNCTION_NAME
+#define LOAD_FUNCTION_NAME(type)	AEILocalInterp_load_1dcube6_ ## type
+#undef  DATA_STRUCT
+#define DATA_STRUCT			data_struct_1d_cube_size6
+#undef  LOAD_DATA_FILE_NAME
+#define LOAD_DATA_FILE_NAME		"1d.cube.size6/load-data.c"
+#include "load-template.c"
+
+#undef  LOAD_FUNCTION_NAME
+#define LOAD_FUNCTION_NAME(type)	AEILocalInterp_load_1dcube7_ ## type
+#undef  DATA_STRUCT
+#define DATA_STRUCT			data_struct_1d_cube_size7
+#undef  LOAD_DATA_FILE_NAME
+#define LOAD_DATA_FILE_NAME		"1d.cube.size7/load-data.c"
+#include "load-template.c"
+
+/******************************************************************************/
+
+/*
+ * 2-D routines
+ */
+
+#undef  INT_STRIDE_IJK
+#define INT_STRIDE_IJK		int stride_i, int stride_j
+#undef  DATA_REAL
+#define DATA_REAL(mi,mj)	ptr[stride_i*mi + stride_j*mj]
+#undef  DATA_COMPLEX
+#define DATA_COMPLEX(mi,mj)	ptr[stride_i*mi + stride_j*mj][part]
+
+#undef  LOAD_FUNCTION_NAME
+#define LOAD_FUNCTION_NAME(type)	AEILocalInterp_load_2dcube2_ ## type
+#undef  DATA_STRUCT
+#define DATA_STRUCT			data_struct_2d_cube_size2
+#undef  LOAD_DATA_FILE_NAME
+#define LOAD_DATA_FILE_NAME		"2d.cube.size2/load-data.c"
+#include "load-template.c"
+
+#undef  LOAD_FUNCTION_NAME
+#define LOAD_FUNCTION_NAME(type)	AEILocalInterp_load_2dcube3_ ## type
+#undef  DATA_STRUCT
+#define DATA_STRUCT			data_struct_2d_cube_size3
+#undef  LOAD_DATA_FILE_NAME
+#define LOAD_DATA_FILE_NAME		"2d.cube.size3/load-data.c"
+#include "load-template.c"
+
+#undef  LOAD_FUNCTION_NAME
+#define LOAD_FUNCTION_NAME(type)	AEILocalInterp_load_2dcube4_ ## type
+#undef  DATA_STRUCT
+#define DATA_STRUCT			data_struct_2d_cube_size4
+#undef  LOAD_DATA_FILE_NAME
+#define LOAD_DATA_FILE_NAME		"2d.cube.size4/load-data.c"
+#include "load-template.c"
+
+#undef  LOAD_FUNCTION_NAME
+#define LOAD_FUNCTION_NAME(type)	AEILocalInterp_load_2dcube5_ ## type
+#undef  DATA_STRUCT
+#define DATA_STRUCT			data_struct_2d_cube_size5
+#undef  LOAD_DATA_FILE_NAME
+#define LOAD_DATA_FILE_NAME		"2d.cube.size5/load-data.c"
+#include "load-template.c"
+#undef  LOAD_FUNCTION_NAME_PREFIX
+
+#undef  LOAD_FUNCTION_NAME
+#define LOAD_FUNCTION_NAME(type)	AEILocalInterp_load_2dcube6_ ## type
+#undef  DATA_STRUCT
+#define DATA_STRUCT			data_struct_2d_cube_size6
+#undef  LOAD_DATA_FILE_NAME
+#define LOAD_DATA_FILE_NAME		"2d.cube.size6/load-data.c"
+#include "load-template.c"
+
+/******************************************************************************/
+
+/*
+ * 3-D routines
+ */
+
+#undef  INT_STRIDE_IJK
+#define INT_STRIDE_IJK		int stride_i, int stride_j, int stride_k
+#undef  DATA_REAL
+#define DATA_REAL(mi,mj,mk)	ptr[stride_i*mi + stride_j*mj + stride_k*mk]
+#undef  DATA_COMPLEX
+#define DATA_COMPLEX(mi,mj,mk)	ptr[stride_i*mi + stride_j*mj + stride_k*mk] \
+				   [part]
+
+#undef  LOAD_FUNCTION_NAME
+#define LOAD_FUNCTION_NAME(type)	AEILocalInterp_load_3dcube2_ ## type
+#undef  DATA_STRUCT
+#define DATA_STRUCT			data_struct_3d_cube_size2
+#undef  LOAD_DATA_FILE_NAME
+#define LOAD_DATA_FILE_NAME		"3d.cube.size2/load-data.c"
+#include "load-template.c"
+
+#undef  LOAD_FUNCTION_NAME
+#define LOAD_FUNCTION_NAME(type)	AEILocalInterp_load_3dcube3_ ## type
+#undef  DATA_STRUCT
+#define DATA_STRUCT			data_struct_3d_cube_size3
+#undef  LOAD_DATA_FILE_NAME
+#define LOAD_DATA_FILE_NAME		"3d.cube.size3/load-data.c"
+#include "load-template.c"
+
+#undef  LOAD_FUNCTION_NAME
+#define LOAD_FUNCTION_NAME(type)	AEILocalInterp_load_3dcube4_ ## type
+#undef  DATA_STRUCT
+#define DATA_STRUCT			data_struct_3d_cube_size4
+#undef  LOAD_DATA_FILE_NAME
+#define LOAD_DATA_FILE_NAME		"3d.cube.size4/load-data.c"
+#include "load-template.c"
+
+#undef  LOAD_FUNCTION_NAME
+#define LOAD_FUNCTION_NAME(type)	AEILocalInterp_load_3dcube5_ ## type
+#undef  DATA_STRUCT
+#define DATA_STRUCT			data_struct_3d_cube_size5
+#undef  LOAD_DATA_FILE_NAME
+#define LOAD_DATA_FILE_NAME		"3d.cube.size5/load-data.c"
+#include "load-template.c"
+#undef  LOAD_FUNCTION_NAME_PREFIX
+
+#undef  LOAD_FUNCTION_NAME
+#define LOAD_FUNCTION_NAME(type)	AEILocalInterp_load_3dcube6_ ## type
+#undef  DATA_STRUCT
+#define DATA_STRUCT			data_struct_3d_cube_size6
+#undef  LOAD_DATA_FILE_NAME
+#define LOAD_DATA_FILE_NAME		"3d.cube.size6/load-data.c"
+#include "load-template.c"
diff --git a/src/common/load.h b/src/common/load.h
new file mode 100644
index 0000000..98ff266
--- /dev/null
+++ b/src/common/load.h
@@ -0,0 +1,149 @@
+/* load.h -- load molecule-sized piece of input array into struct data */
+/* $Header$ */
+
+/*
+ * prerequisite headers:
+ *	"cctk.h"
+ *	"../InterpLocalUniform.h"
+ *	"structs.h"
+ */
+
+/******************************************************************************/
+
+/*
+ * 1-D load routines
+ */
+
+#undef  INT_STRIDE_IJK
+#define INT_STRIDE_IJK			int stride_i
+
+#undef  LOAD_FUNCTION_NAME
+#define LOAD_FUNCTION_NAME(type)	AEILocalInterp_load_1dcube2_ ## type
+#undef  DATA_STRUCT
+#define DATA_STRUCT			data_struct_1d_cube_size2
+#include "load-template.h"
+
+#undef  LOAD_FUNCTION_NAME
+#define LOAD_FUNCTION_NAME(type)	AEILocalInterp_load_1dcube3_ ## type
+#undef  DATA_STRUCT
+#define DATA_STRUCT			data_struct_1d_cube_size3
+#include "load-template.h"
+
+#undef  LOAD_FUNCTION_NAME
+#define LOAD_FUNCTION_NAME(type)	AEILocalInterp_load_1dcube4_ ## type
+#undef  DATA_STRUCT
+#define DATA_STRUCT			data_struct_1d_cube_size4
+#include "load-template.h"
+
+#undef  LOAD_FUNCTION_NAME
+#define LOAD_FUNCTION_NAME(type)	AEILocalInterp_load_1dcube5_ ## type
+#undef  DATA_STRUCT
+#define DATA_STRUCT			data_struct_1d_cube_size5
+#include "load-template.h"
+#undef  LOAD_FUNCTION_NAME_PREFIX
+
+#undef  LOAD_FUNCTION_NAME
+#define LOAD_FUNCTION_NAME(type)	AEILocalInterp_load_1dcube6_ ## type
+#undef  DATA_STRUCT
+#define DATA_STRUCT			data_struct_1d_cube_size6
+#include "load-template.h"
+
+#undef  LOAD_FUNCTION_NAME
+#define LOAD_FUNCTION_NAME(type)	AEILocalInterp_load_1dcube7_ ## type
+#undef  DATA_STRUCT
+#define DATA_STRUCT			data_struct_1d_cube_size7
+#include "load-template.h"
+
+/******************************************************************************/
+
+/*
+ * 2-D load routines
+ */
+
+#undef  INT_STRIDE_IJK
+#define INT_STRIDE_IJK			int stride_i, int stride_j
+
+#undef  LOAD_FUNCTION_NAME
+#define LOAD_FUNCTION_NAME(type)	AEILocalInterp_load_2dcube2_ ## type
+#undef  DATA_STRUCT
+#define DATA_STRUCT			data_struct_2d_cube_size2
+#include "load-template.h"
+
+#undef  LOAD_FUNCTION_NAME
+#define LOAD_FUNCTION_NAME(type)	AEILocalInterp_load_2dcube3_ ## type
+#undef  DATA_STRUCT
+#define DATA_STRUCT			data_struct_2d_cube_size3
+#include "load-template.h"
+
+#undef  LOAD_FUNCTION_NAME
+#define LOAD_FUNCTION_NAME(type)	AEILocalInterp_load_2dcube4_ ## type
+#undef  DATA_STRUCT
+#define DATA_STRUCT			data_struct_2d_cube_size4
+#include "load-template.h"
+
+#undef  LOAD_FUNCTION_NAME
+#define LOAD_FUNCTION_NAME(type)	AEILocalInterp_load_2dcube5_ ## type
+#undef  DATA_STRUCT
+#define DATA_STRUCT			data_struct_2d_cube_size5
+#include "load-template.h"
+#undef  LOAD_FUNCTION_NAME_PREFIX
+
+#undef  LOAD_FUNCTION_NAME
+#define LOAD_FUNCTION_NAME(type)	AEILocalInterp_load_2dcube6_ ## type
+#undef  DATA_STRUCT
+#define DATA_STRUCT			data_struct_2d_cube_size6
+#include "load-template.h"
+
+/******************************************************************************/
+
+/*
+ * 3-D load routines
+ */
+
+#undef  INT_STRIDE_IJK
+#define INT_STRIDE_IJK			int stride_i, int stride_j, int stride_k
+
+#undef  LOAD_FUNCTION_NAME
+#define LOAD_FUNCTION_NAME(type)	AEILocalInterp_load_3dcube2_ ## type
+#undef  DATA_STRUCT
+#define DATA_STRUCT			data_struct_3d_cube_size2
+#include "load-template.h"
+
+#undef  LOAD_FUNCTION_NAME
+#define LOAD_FUNCTION_NAME(type)	AEILocalInterp_load_3dcube3_ ## type
+#undef  DATA_STRUCT
+#define DATA_STRUCT			data_struct_3d_cube_size3
+#include "load-template.h"
+
+#undef  LOAD_FUNCTION_NAME
+#define LOAD_FUNCTION_NAME(type)	AEILocalInterp_load_3dcube3_ ## type
+#undef  DATA_STRUCT
+#define DATA_STRUCT			data_struct_3d_cube_size3
+#include "load-template.h"
+
+#undef  LOAD_FUNCTION_NAME
+#define LOAD_FUNCTION_NAME(type)	AEILocalInterp_load_3dcube4_ ## type
+#undef  DATA_STRUCT
+#define DATA_STRUCT			data_struct_3d_cube_size4
+#include "load-template.h"
+
+#undef  LOAD_FUNCTION_NAME
+#define LOAD_FUNCTION_NAME(type)	AEILocalInterp_load_3dcube5_ ## type
+#undef  DATA_STRUCT
+#define DATA_STRUCT			data_struct_3d_cube_size5
+#include "load-template.h"
+#undef  LOAD_FUNCTION_NAME_PREFIX
+
+#undef  LOAD_FUNCTION_NAME
+#define LOAD_FUNCTION_NAME(type)	AEILocalInterp_load_3dcube6_ ## type
+#undef  DATA_STRUCT
+#define DATA_STRUCT			data_struct_3d_cube_size6
+#include "load-template.h"
+
+/******************************************************************************/
+
+/*
+ * We don't want to leave DATA_STRUCT defined -- this would confuse
+ * later code that wants to define it and include "load-template.c"
+ */
+#undef  DATA_STRUCT
diff --git a/src/common/make.code.defn b/src/common/make.code.defn
new file mode 100644
index 0000000..460d71a
--- /dev/null
+++ b/src/common/make.code.defn
@@ -0,0 +1,5 @@
+# make.code.defn file for support routines common to multiple molecule families
+# $Header$
+
+# Source files in this directory
+SRCS = load.c evaluate.c store.c
diff --git a/src/common/makefile b/src/common/makefile
new file mode 100644
index 0000000..03b634d
--- /dev/null
+++ b/src/common/makefile
@@ -0,0 +1,64 @@
+#
+# main targets: rebuild machine-generated coefficient files
+#
+
+default	: 1d 2d 3d
+dirs	: 1d.dirs 2d.dirs 3d.dirs
+
+.PHONY	: 1d
+1d	:
+	-rm -f 1d.cube.size*/*.c 1d.cube.size*/*.h
+	cat ../util.maple ../interpolate.maple \
+            cube_posns.maple 1d.maple \
+           | maple 2>&1 >1d.log
+
+.PHONY	: 2d
+2d	:
+	-rm -f 2d.cube.size*/*.c 2d.cube.size*/*.h
+	cat ../util.maple ../interpolate.maple \
+            cube_posns.maple 2d.maple \
+           | maple 2>&2 >2d.log
+
+.PHONY	: 3d
+3d	:
+	-rm -f 3d.cube.size*/*.c 3d.cube.size*/*.h
+	cat ../util.maple ../interpolate.maple \
+            cube_posns.maple 3d.maple \
+           | maple 2>&2 >3d.log
+
+################################################################################
+
+#
+# targets to initially create directories for machine-generated coefficients
+# these only need to be run if you're setting up a new interpolator,
+# i.e. if you don't already have the directories in cvs
+# (you still have to add them to cvs by hand)
+#
+
+.PHONY	: 1d.dirs
+1d.dirs:
+	-rm -rf 1d.cube.size*
+	mkdir 1d.cube.size2
+	mkdir 1d.cube.size3
+	mkdir 1d.cube.size4
+	mkdir 1d.cube.size5
+	mkdir 1d.cube.size6
+	mkdir 1d.cube.size7
+
+.PHONY	: 2d.dirs
+2d.dirs:
+	-rm -rf 2d.cube.size*
+	mkdir 2d.cube.size2
+	mkdir 2d.cube.size3
+	mkdir 2d.cube.size4
+	mkdir 2d.cube.size5
+	mkdir 2d.cube.size6
+
+.PHONY	: 3d.dirs
+3d.dirs:
+	-rm -rf 3d.cube.size*
+	mkdir 3d.cube.size2
+	mkdir 3d.cube.size3
+	mkdir 3d.cube.size4
+	mkdir 3d.cube.size5
+	mkdir 3d.cube.size6
diff --git a/src/common/store.c b/src/common/store.c
new file mode 100644
index 0000000..3ed6003
--- /dev/null
+++ b/src/common/store.c
@@ -0,0 +1,166 @@
+/* store.c -- store molecule coefficients in Jacobian */
+/* $Header$ */
+
+#include "cctk.h"
+#include "../InterpLocalUniform.h"
+
+#include "structs.h"
+#include "store.h"
+
+/******************************************************************************/
+
+/*
+ * 1-D routines
+ */
+
+#undef  COEFF
+#define COEFF(mi)	Jacobian_ptr[Jacobian_mi_stride*mi]
+
+void AEILocalInterp_store_1dcube2
+      (fp factor, const struct coeffs_struct_1d_cube_size2 *coeffs,
+       fp Jacobian_ptr[],
+       int Jacobian_mi_stride)
+{
+#include "1d.cube.size2/store-coeffs.c"
+}
+
+void AEILocalInterp_store_1dcube3
+      (fp factor, const struct coeffs_struct_1d_cube_size3 *coeffs,
+       fp Jacobian_ptr[],
+       int Jacobian_mi_stride)
+{
+#include "1d.cube.size3/store-coeffs.c"
+}
+
+void AEILocalInterp_store_1dcube4
+      (fp factor, const struct coeffs_struct_1d_cube_size4 *coeffs,
+       fp Jacobian_ptr[],
+       int Jacobian_mi_stride)
+{
+#include "1d.cube.size4/store-coeffs.c"
+}
+
+void AEILocalInterp_store_1dcube5
+      (fp factor, const struct coeffs_struct_1d_cube_size5 *coeffs,
+       fp Jacobian_ptr[],
+       int Jacobian_mi_stride)
+{
+#include "1d.cube.size5/store-coeffs.c"
+}
+
+void AEILocalInterp_store_1dcube6
+      (fp factor, const struct coeffs_struct_1d_cube_size6 *coeffs,
+       fp Jacobian_ptr[],
+       int Jacobian_mi_stride)
+{
+#include "1d.cube.size6/store-coeffs.c"
+}
+
+void AEILocalInterp_store_1dcube7
+      (fp factor, const struct coeffs_struct_1d_cube_size7 *coeffs,
+       fp Jacobian_ptr[],
+       int Jacobian_mi_stride)
+{
+#include "1d.cube.size7/store-coeffs.c"
+}
+
+/******************************************************************************/
+
+/*
+ * 2-D routines
+ */
+
+#undef  COEFF
+#define COEFF(mi,mj)	Jacobian_ptr[   Jacobian_mi_stride*mi \
+				      + Jacobian_mj_stride*mj ]
+
+void AEILocalInterp_store_2dcube2
+      (fp factor, const struct coeffs_struct_2d_cube_size2 *coeffs,
+       fp Jacobian_ptr[],
+       int Jacobian_mi_stride, int Jacobian_mj_stride)
+{
+#include "2d.cube.size2/store-coeffs.c"
+}
+
+void AEILocalInterp_store_2dcube3
+      (fp factor, const struct coeffs_struct_2d_cube_size3 *coeffs,
+       fp Jacobian_ptr[],
+       int Jacobian_mi_stride, int Jacobian_mj_stride)
+{
+#include "2d.cube.size3/store-coeffs.c"
+}
+
+void AEILocalInterp_store_2dcube4
+      (fp factor, const struct coeffs_struct_2d_cube_size4 *coeffs,
+       fp Jacobian_ptr[],
+       int Jacobian_mi_stride, int Jacobian_mj_stride)
+{
+#include "2d.cube.size4/store-coeffs.c"
+}
+
+void AEILocalInterp_store_2dcube5
+      (fp factor, const struct coeffs_struct_2d_cube_size5 *coeffs,
+       fp Jacobian_ptr[],
+       int Jacobian_mi_stride, int Jacobian_mj_stride)
+{
+#include "2d.cube.size5/store-coeffs.c"
+}
+
+void AEILocalInterp_store_2dcube6
+      (fp factor, const struct coeffs_struct_2d_cube_size6 *coeffs,
+       fp Jacobian_ptr[],
+       int Jacobian_mi_stride, int Jacobian_mj_stride)
+{
+#include "2d.cube.size6/store-coeffs.c"
+}
+
+/******************************************************************************/
+
+/*
+ * 3-D routines
+ */
+
+#undef  COEFF
+#define COEFF(mi,mj,mk)	Jacobian_ptr[   Jacobian_mi_stride*mi \
+				      + Jacobian_mj_stride*mj \
+				      + Jacobian_mk_stride*mk ]
+
+void AEILocalInterp_store_3dcube2
+      (fp factor, const struct coeffs_struct_3d_cube_size2 *coeffs,
+       fp Jacobian_ptr[],
+       int Jacobian_mi_stride, int Jacobian_mj_stride, int Jacobian_mk_stride)
+{
+#include "3d.cube.size2/store-coeffs.c"
+}
+
+void AEILocalInterp_store_3dcube3
+      (fp factor, const struct coeffs_struct_3d_cube_size3 *coeffs,
+       fp Jacobian_ptr[],
+       int Jacobian_mi_stride, int Jacobian_mj_stride, int Jacobian_mk_stride)
+{
+#include "3d.cube.size3/store-coeffs.c"
+}
+
+void AEILocalInterp_store_3dcube4
+      (fp factor, const struct coeffs_struct_3d_cube_size4 *coeffs,
+       fp Jacobian_ptr[],
+       int Jacobian_mi_stride, int Jacobian_mj_stride, int Jacobian_mk_stride)
+{
+#include "3d.cube.size4/store-coeffs.c"
+}
+
+void AEILocalInterp_store_3dcube5
+      (fp factor, const struct coeffs_struct_3d_cube_size5 *coeffs,
+       fp Jacobian_ptr[],
+       int Jacobian_mi_stride, int Jacobian_mj_stride, int Jacobian_mk_stride)
+{
+#include "3d.cube.size5/store-coeffs.c"
+}
+
+void AEILocalInterp_store_3dcube6
+      (fp factor, const struct coeffs_struct_3d_cube_size6 *coeffs,
+       fp Jacobian_ptr[],
+       int Jacobian_mi_stride, int Jacobian_mj_stride, int Jacobian_mk_stride)
+{
+#include "3d.cube.size6/store-coeffs.c"
+}
diff --git a/src/common/store.h b/src/common/store.h
new file mode 100644
index 0000000..e042552
--- /dev/null
+++ b/src/common/store.h
@@ -0,0 +1,76 @@
+/* store.h -- store molecule coefficients in Jacobian */
+/* $Header$ */
+
+/*
+ * prerequisite headers:
+ *	"cctk.h"
+ *	"../InterpLocalUniform.h"
+ *	"structs.h"
+ */
+
+void AEILocalInterp_store_1dcube2
+      (fp factor, const struct coeffs_struct_1d_cube_size2 *coeffs,
+       fp Jacobian_ptr[],
+       int Jacobian_mi_stride);
+void AEILocalInterp_store_1dcube3
+      (fp factor, const struct coeffs_struct_1d_cube_size3 *coeffs,
+       fp Jacobian_ptr[],
+       int Jacobian_mi_stride);
+void AEILocalInterp_store_1dcube4
+      (fp factor, const struct coeffs_struct_1d_cube_size4 *coeffs,
+       fp Jacobian_ptr[],
+       int Jacobian_mi_stride);
+void AEILocalInterp_store_1dcube5
+      (fp factor, const struct coeffs_struct_1d_cube_size5 *coeffs,
+       fp Jacobian_ptr[],
+       int Jacobian_mi_stride);
+void AEILocalInterp_store_1dcube6
+      (fp factor, const struct coeffs_struct_1d_cube_size6 *coeffs,
+       fp Jacobian_ptr[],
+       int Jacobian_mi_stride);
+void AEILocalInterp_store_1dcube7
+      (fp factor, const struct coeffs_struct_1d_cube_size7 *coeffs,
+       fp Jacobian_ptr[],
+       int Jacobian_mi_stride);
+
+void AEILocalInterp_store_2dcube2
+      (fp factor, const struct coeffs_struct_2d_cube_size2 *coeffs,
+       fp Jacobian_ptr[],
+       int Jacobian_mi_stride, int Jacobian_mj_stride);
+void AEILocalInterp_store_2dcube3
+      (fp factor, const struct coeffs_struct_2d_cube_size3 *coeffs,
+       fp Jacobian_ptr[],
+       int Jacobian_mi_stride, int Jacobian_mj_stride);
+void AEILocalInterp_store_2dcube4
+      (fp factor, const struct coeffs_struct_2d_cube_size4 *coeffs,
+       fp Jacobian_ptr[],
+       int Jacobian_mi_stride, int Jacobian_mj_stride);
+void AEILocalInterp_store_2dcube5
+      (fp factor, const struct coeffs_struct_2d_cube_size5 *coeffs,
+       fp Jacobian_ptr[],
+       int Jacobian_mi_stride, int Jacobian_mj_stride);
+void AEILocalInterp_store_2dcube6
+      (fp factor, const struct coeffs_struct_2d_cube_size6 *coeffs,
+       fp Jacobian_ptr[],
+       int Jacobian_mi_stride, int Jacobian_mj_stride);
+
+void AEILocalInterp_store_3dcube2
+      (fp factor, const struct coeffs_struct_3d_cube_size2 *coeffs,
+       fp Jacobian_ptr[],
+       int Jacobian_mi_stride, int Jacobian_mj_stride, int Jacobian_mk_stride);
+void AEILocalInterp_store_3dcube3
+      (fp factor, const struct coeffs_struct_3d_cube_size3 *coeffs,
+       fp Jacobian_ptr[],
+       int Jacobian_mi_stride, int Jacobian_mj_stride, int Jacobian_mk_stride);
+void AEILocalInterp_store_3dcube4
+      (fp factor, const struct coeffs_struct_3d_cube_size4 *coeffs,
+       fp Jacobian_ptr[],
+       int Jacobian_mi_stride, int Jacobian_mj_stride, int Jacobian_mk_stride);
+void AEILocalInterp_store_3dcube5
+      (fp factor, const struct coeffs_struct_3d_cube_size5 *coeffs,
+       fp Jacobian_ptr[],
+       int Jacobian_mi_stride, int Jacobian_mj_stride, int Jacobian_mk_stride);
+void AEILocalInterp_store_3dcube6
+      (fp factor, const struct coeffs_struct_3d_cube_size6 *coeffs,
+       fp Jacobian_ptr[],
+       int Jacobian_mi_stride, int Jacobian_mj_stride, int Jacobian_mk_stride);
diff --git a/src/common/structs.h b/src/common/structs.h
new file mode 100644
index 0000000..07481ca
--- /dev/null
+++ b/src/common/structs.h
@@ -0,0 +1,157 @@
+/* structs.h -- definitions of data/coeffsicient structures */
+/* $Header$ */
+
+/*
+ * prerequisite headers:
+ *	"cctk.h"
+ *	"../InterpLocalUniform.h"
+ */
+
+/******************************************************************************/
+
+/*
+ * Each of these structures holds a molecule-sized piece of a single
+ * real data array, or of a single real/imaginary component of a single
+ * complex data array.
+ */
+
+struct	data_struct_1d_cube_size2
+	{
+	#include "1d.cube.size2/data-dcl.h"
+	};
+struct	data_struct_1d_cube_size3
+	{
+	#include "1d.cube.size3/data-dcl.h"
+	};
+struct	data_struct_1d_cube_size4
+	{
+	#include "1d.cube.size4/data-dcl.h"
+	};
+struct	data_struct_1d_cube_size5
+	{
+	#include "1d.cube.size5/data-dcl.h"
+	};
+struct	data_struct_1d_cube_size6
+	{
+	#include "1d.cube.size6/data-dcl.h"
+	};
+struct	data_struct_1d_cube_size7
+	{
+	#include "1d.cube.size7/data-dcl.h"
+	};
+
+struct	data_struct_2d_cube_size2
+	{
+	#include "2d.cube.size2/data-dcl.h"
+	};
+struct	data_struct_2d_cube_size3
+	{
+	#include "2d.cube.size3/data-dcl.h"
+	};
+struct	data_struct_2d_cube_size4
+	{
+	#include "2d.cube.size4/data-dcl.h"
+	};
+struct	data_struct_2d_cube_size5
+	{
+	#include "2d.cube.size5/data-dcl.h"
+	};
+struct	data_struct_2d_cube_size6
+	{
+	#include "2d.cube.size6/data-dcl.h"
+	};
+
+struct	data_struct_3d_cube_size2
+	{
+	#include "3d.cube.size2/data-dcl.h"
+	};
+struct	data_struct_3d_cube_size3
+	{
+	#include "3d.cube.size3/data-dcl.h"
+	};
+struct	data_struct_3d_cube_size4
+	{
+	#include "3d.cube.size4/data-dcl.h"
+	};
+struct	data_struct_3d_cube_size5
+	{
+	#include "3d.cube.size5/data-dcl.h"
+	};
+struct	data_struct_3d_cube_size6
+	{
+	#include "3d.cube.size6/data-dcl.h"
+	};
+
+/******************************************************************************/
+
+/*
+ * Each of these structures holds all the coeffsicients for a single
+ * molecule (written as a linear combination of the input data).
+ */
+
+struct	coeffs_struct_1d_cube_size2
+	{
+	#include "1d.cube.size2/coeffs-dcl.h"
+	};
+struct	coeffs_struct_1d_cube_size3
+	{
+	#include "1d.cube.size3/coeffs-dcl.h"
+	};
+struct	coeffs_struct_1d_cube_size4
+	{
+	#include "1d.cube.size4/coeffs-dcl.h"
+	};
+struct	coeffs_struct_1d_cube_size5
+	{
+	#include "1d.cube.size5/coeffs-dcl.h"
+	};
+struct	coeffs_struct_1d_cube_size6
+	{
+	#include "1d.cube.size6/coeffs-dcl.h"
+	};
+struct	coeffs_struct_1d_cube_size7
+	{
+	#include "1d.cube.size7/coeffs-dcl.h"
+	};
+
+struct	coeffs_struct_2d_cube_size2
+	{
+	#include "2d.cube.size2/coeffs-dcl.h"
+	};
+struct	coeffs_struct_2d_cube_size3
+	{
+	#include "2d.cube.size3/coeffs-dcl.h"
+	};
+struct	coeffs_struct_2d_cube_size4
+	{
+	#include "2d.cube.size4/coeffs-dcl.h"
+	};
+struct	coeffs_struct_2d_cube_size5
+	{
+	#include "2d.cube.size5/coeffs-dcl.h"
+	};
+struct	coeffs_struct_2d_cube_size6
+	{
+	#include "2d.cube.size6/coeffs-dcl.h"
+	};
+
+struct	coeffs_struct_3d_cube_size2
+	{
+	#include "3d.cube.size2/coeffs-dcl.h"
+	};
+struct	coeffs_struct_3d_cube_size3
+	{
+	#include "3d.cube.size3/coeffs-dcl.h"
+	};
+struct	coeffs_struct_3d_cube_size4
+	{
+	#include "3d.cube.size4/coeffs-dcl.h"
+	};
+struct	coeffs_struct_3d_cube_size5
+	{
+	#include "3d.cube.size5/coeffs-dcl.h"
+	};
+struct	coeffs_struct_3d_cube_size6
+	{
+	#include "3d.cube.size6/coeffs-dcl.h"
+	};