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Diffstat (limited to 'src/common/cube_posns.maple')
| -rw-r--r-- | src/common/cube_posns.maple | 46 |
1 files changed, 46 insertions, 0 deletions
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])); |