gen_excit_4ind_weighted2 Subroutine

public subroutine gen_excit_4ind_weighted2(nI, ilutI, nJ, ilutJ, exFlag, IC, ExcitMat, tParity, pGen, HElGen, store, part_type)

An API interfacing function for generate_excitation to the rest of NECI:

Requires guga_bitRepOps::current_csf_i to be set according to the ilutI.


Type IntentOptional Attributes Name
integer, intent(in) :: nI(nel)
integer(kind=n_int), intent(in) :: ilutI(0:NIfTot)
integer, intent(out) :: nJ(nel)
integer(kind=n_int), intent(out) :: ilutJ(0:NIfTot)
integer, intent(in) :: exFlag
integer, intent(out) :: IC
integer, intent(out) :: ExcitMat(2,maxExcit)
logical, intent(out) :: tParity
real(kind=dp), intent(out) :: pGen
real(kind=dp), intent(out) :: HElGen
type(excit_gen_store_type), intent(inout), target :: store
integer, intent(in), optional :: part_type