construct_fock_matrix Subroutine

public subroutine construct_fock_matrix(p, b, f, use_d_diff, dmat_given)

This function constructs the RHF Fock Matrix assumes that density matrix is symmetric

Arguments

Type IntentOptional Attributes Name
type(param), intent(in) :: p
type(basis), intent(in) :: b
type(wf_data), intent(inout) :: f
logical, intent(in), optional :: use_d_diff
real(kind=long), intent(in), optional, dimension(p%n_basis, p%n_basis) :: dmat_given