calculated overlaps of configuration state functions for different orbital sets
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| type(param), | intent(in) | :: | p | |||
| type(csf), | intent(in) | :: | csf_array1(:) |
array for csfs 1 |
||
| type(csf), | intent(in) | :: | csf_array2(:) |
array for csfs 2 |
||
| real(kind=long), | intent(in) | :: | lc1(:,:) |
orbitals 1 |
||
| real(kind=long), | intent(in) | :: | lc2(:,:) |
orbitals 2 |
||
| real(kind=long), | intent(in) | :: | s12(:,:) |
overlap (basis set) |
||
| real(kind=long), | intent(in) | :: | op1(:,:,:) |
operator (basis set) |
||
| real(kind=long), | intent(out) | :: | csf_o(size(csf_array1,1),size(csf_array2,1),size(op1,3)) |
array for final csfs operator |