transform_twoel_two_active Subroutine

public subroutine transform_twoel_two_active(p, b, f, active, output)

transform 2el matrix elements into MO space only those where two electrons are member of the array active

Arguments

Type IntentOptional Attributes Name
type(param), intent(in) :: p
type(basis), intent(inout) :: b
type(wf_data), intent(inout) :: f
integer, intent(in) :: active(:)
integer, intent(in) :: output