construct_FlexibleGASSpec_t Function

private pure function construct_FlexibleGASSpec_t(supergroups, spat_GAS_orbs, recoupling) result(GAS_spec)

Constructor of FlexibleGASSpec_t


Type IntentOptional Attributes Name
integer, intent(in) :: supergroups(:,:)

The allowed supergroups.

integer, intent(in) :: spat_GAS_orbs(:)

GAS space for the i-th spatial orbital.

logical, intent(in), optional :: recoupling

Exchange double excitations that recouple the spin are allowed

Return Value type(FlexibleGASSpec_t)