transform_twoel_allactive Subroutine

public subroutine transform_twoel_allactive(p, ba, f, active, output)

transform all active 2el matrix elements into MO space

Arguments

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