calculate_f_inactive Subroutine

public subroutine calculate_f_inactive(p, b, core, lc, f_inactive)

return the inactive Fock matrix i.e. from the inactive orbital's density matrix

Arguments

Type IntentOptional Attributes Name
type(param), intent(in) :: p
type(basis), intent(in) :: b
integer, intent(in) :: core(:)
real(kind=long), intent(in) :: lc(:,:)
real(kind=long), intent(out) :: f_inactive(size(lc,2),size(lc,2))