transform_twoel_two_core Subroutine

public subroutine transform_twoel_two_core(p, b, f, core, output)

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

Arguments

Type IntentOptional 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