prodoverlapunrestricted Function

public function prodoverlapunrestricted(p, f, strans, lcrefa, lcrefb) result(prodolap)

Calculate the product of all occupied orbital projections

Arguments

Type IntentOptional Attributes Name
type(param), intent(in) :: p
type(wf_data), intent(inout) :: f
real(kind=long), intent(in), dimension(f%n_basis, f%n_basis) :: strans

The overlap matrix SI(i,j) between the

real(kind=long), intent(in), dimension(f%n_basis, f%nr_basis) :: lcrefa

The reference MO coefficients

real(kind=long), intent(in), dimension(f%n_basis, f%nr_basis) :: lcrefb

The reference MO coefficients

Return Value real(kind=long)