fills the structure indep_mo_pairs containing pairs of mos forming independent SCF optimization parameters
Type | Intent | Optional | Attributes | Name | ||
---|---|---|---|---|---|---|
type(param), | intent(in) | :: | p | |||
type(wf_data), | intent(in) | :: | f | |||
type(indep_mo_pair), | intent(out), | allocatable | :: | pairs(:) | ||
integer, | intent(in), | optional | :: | irrep(:) |