get_available_singles Function

private pure function get_available_singles(this, det_I) result(singles_exc_list)

Type Bound

GASSpec_t

Arguments

Type IntentOptional Attributes Name
class(GASSpec_t), intent(in) :: this

Get all single excitated determinants from det_I that are allowed under GAS constraints.

integer, intent(in) :: det_I(:)

Return Value integer, allocatable, (:,:)

Dimension is (nEl, n_configurations)