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 | Intent | Optional | 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 |