public subroutine localize_orbitals(p, g, b, f, mo_index)
localizes orbitals in MO_index array
Arguments
| Type |
Intent | Optional | Attributes |
|
Name |
|
|
type(param),
|
intent(in) |
|
|
:: |
p |
|
|
type(grid3d),
|
intent(in) |
|
|
:: |
g |
|
|
type(basis),
|
intent(in) |
|
|
:: |
b |
|
|
type(wf_data),
|
intent(inout) |
|
|
:: |
f |
|
|
integer
|
|
|
|
:: |
mo_index(:) |
|