transform 2el matrix elements into MO space only those of type (cc|ij) and (ci|cj) where two electrons are member of the array core
Type | Intent | Optional | Attributes | Name | ||
---|---|---|---|---|---|---|
type(param), | intent(in) | :: | p | |||
type(basis), | intent(in) | :: | b | |||
type(wf_data), | intent(inout) | :: | f | |||
integer, | intent(in) | :: | core(:) | |||
integer, | intent(in) | :: | output |