density_matrix Subroutine

public subroutine density_matrix(lc, occ, d)

computes the density matrix

Arguments

Type IntentOptional Attributes Name
real(kind=long), intent(in) :: lc(:,:)
real(kind=long), intent(in) :: occ(:)
real(kind=long), intent(out) :: d(size(lc,1),size(lc,1))