diff options
Diffstat (limited to 'src/cgauss.x')
| -rw-r--r-- | src/cgauss.x | 57 |
1 files changed, 57 insertions, 0 deletions
diff --git a/src/cgauss.x b/src/cgauss.x new file mode 100644 index 0000000..dda383d --- /dev/null +++ b/src/cgauss.x @@ -0,0 +1,57 @@ + gtil = amp*(exp(-((-eta0 + eta(i,j,k))**2/sigma**2)) + exp(-((eta0 + + & eta(i,j,k))**2/sigma**2))) + dngtil = amp*((-2.00000000000000d0*(-eta0 + eta(i,j,k))*exp(-((-eta0 + & + eta(i,j,k))**2/sigma**2)))/sigma**2 - (2.00000000000000d0*(eta0 + + & eta(i,j,k))*exp(-((eta0 + eta(i,j,k))**2/sigma**2)))/sigma**2) + dnngtil = amp*((4.0000000000000d0*(-eta0 + eta(i,j,k))**2*exp(-((-et + & a0 + eta(i,j,k))**2/sigma**2)))/sigma**4 - (2.00000000000000d0*exp(- + & ((-eta0 + eta(i,j,k))**2/sigma**2)))/sigma**2 + (4.0000000000000d0*( + & eta0 + eta(i,j,k))**2*exp(-((eta0 + eta(i,j,k))**2/sigma**2)))/sigma**4 + & - (2.00000000000000d0*exp(-((eta0 + eta(i,j,k))**2/sigma**2)))/sigma + & **2) + dnnngtil = amp*((-8.0000000000000d0*(-eta0 + eta(i,j,k))**3*exp(-((- + & eta0 + eta(i,j,k))**2/sigma**2)))/sigma**6 + (1.20000000000000d1*(-e + & ta0 + eta(i,j,k))*exp(-((-eta0 + eta(i,j,k))**2/sigma**2)))/sigma**4 - ( + & 8.0000000000000d0*(eta0 + eta(i,j,k))**3*exp(-((eta0 + eta(i,j,k))**2/si + & gma**2)))/sigma**6 + (1.20000000000000d1*(eta0 + eta(i,j,k))*exp(-(( + & eta0 + eta(i,j,k))**2/sigma**2)))/sigma**4) + dnnnngtil = amp*((1.60000000000000d1*(-eta0 + eta(i,j,k))**4*exp(-(( + & -eta0 + eta(i,j,k))**2/sigma**2)))/sigma**8 - (4.8000000000000d1*(-e + & ta0 + eta(i,j,k))**2*exp(-((-eta0 + eta(i,j,k))**2/sigma**2)))/sigma**6 + & + (1.20000000000000d1*exp(-((-eta0 + eta(i,j,k))**2/sigma**2)))/sigm + & a**4 + (1.60000000000000d1*(eta0 + eta(i,j,k))**4*exp(-((eta0 + eta(i,j,k) + & )**2/sigma**2)))/sigma**8 - (4.8000000000000d1*(eta0 + eta(i,j,k)) + & **2*exp(-((eta0 + eta(i,j,k))**2/sigma**2)))/sigma**6 + (1.200000000 + & 00000d1*exp(-((eta0 + eta(i,j,k))**2/sigma**2)))/sigma**4) + dnnnnngtil = amp*((-3.2000000000000d1*(-eta0 + eta(i,j,k))**5*exp(-( + & (-eta0 + eta(i,j,k))**2/sigma**2)))/sigma**10 + (1.60000000000000d2* + & (-eta0 + eta(i,j,k))**3*exp(-((-eta0 + eta(i,j,k))**2/sigma**2)))/sigma* + & *8 - (1.20000000000000d2*(-eta0 + eta(i,j,k))*exp(-((-eta0 + eta(i,j,k)) + & **2/sigma**2)))/sigma**6 - (3.2000000000000d1*(eta0 + eta(i,j,k))**5 + & *exp(-((eta0 + eta(i,j,k))**2/sigma**2)))/sigma**10 + (1.60000000000 + & 000d2*(eta0 + eta(i,j,k))**3*exp(-((eta0 + eta(i,j,k))**2/sigma**2)))/si + & gma**8 - (1.20000000000000d2*(eta0 + eta(i,j,k))*exp(-((eta0 + eta(i,j,k) + & )**2/sigma**2)))/sigma**6) + dnnnnnngtil = amp*((6.4000000000000d1*(-eta0 + eta(i,j,k))**6*exp(-( + & (-eta0 + eta(i,j,k))**2/sigma**2)))/sigma**12 - (4.8000000000000d2*( + & -eta0 + eta(i,j,k))**4*exp(-((-eta0 + eta(i,j,k))**2/sigma**2)))/sigma** + & 10 + (7.2000000000000d2*(-eta0 + eta(i,j,k))**2*exp(-((-eta0 + eta(i,j,k) + & )**2/sigma**2)))/sigma**8 - (1.20000000000000d2*exp(-((-eta0 + + & eta(i,j,k))**2/sigma**2)))/sigma**6 + (6.4000000000000d1*(eta0 + eta(i,j,k) + & )**6*exp(-((eta0 + eta(i,j,k))**2/sigma**2)))/sigma**12 - (4.8000 + & 000000000d2*(eta0 + eta(i,j,k))**4*exp(-((eta0 + eta(i,j,k))**2/sigma**2 + & )))/sigma**10 + (7.2000000000000d2*(eta0 + eta(i,j,k))**2*exp(-((eta + & 0 + eta(i,j,k))**2/sigma**2)))/sigma**8 - (1.20000000000000d2*exp(-( + & (eta0 + eta(i,j,k))**2/sigma**2)))/sigma**6) + dnnnnnnngtil = amp*((-1.28000000000000d2*(-eta0 + eta(i,j,k))**7*exp + & (-((-eta0 + eta(i,j,k))**2/sigma**2)))/sigma**14 + (1.34400000000000 + & d3*(-eta0 + eta(i,j,k))**5*exp(-((-eta0 + eta(i,j,k))**2/sigma**2)))/sig + & ma**12 - (3.3600000000000d3*(-eta0 + eta(i,j,k))**3*exp(-((-eta0 + e + & ta(i,j,k))**2/sigma**2)))/sigma**10 + (1.68000000000000d3*(-eta0 + e + & ta(i,j,k))*exp(-((-eta0 + eta(i,j,k))**2/sigma**2)))/sigma**8 - (1.28000 + & 000000000d2*(eta0 + eta(i,j,k))**7*exp(-((eta0 + eta(i,j,k))**2/sigma**2 + & )))/sigma**14 + (1.34400000000000d3*(eta0 + eta(i,j,k))**5*exp(-((et + & a0 + eta(i,j,k))**2/sigma**2)))/sigma**12 - (3.3600000000000d3*(eta0 + & + eta(i,j,k))**3*exp(-((eta0 + eta(i,j,k))**2/sigma**2)))/sigma**10 + ( + & 1.68000000000000d3*(eta0 + eta(i,j,k))*exp(-((eta0 + eta(i,j,k))**2/sigm + & a**2)))/sigma**8) |