calc_cimatrix Subroutine

public subroutine calc_cimatrix(ut, e_core, f_core, teint_abcd, occs, ci_matrix, nintern, teint_iiee, teint_ieie, teint_iiie)

calculates the configuration interaction matrix

Arguments

Type IntentOptional Attributes Name
type(umatrixtable), intent(in) :: ut
real(kind=long), intent(in) :: e_core
real(kind=long), intent(in) :: f_core(:,:)
real(kind=long), intent(in) :: teint_abcd(:)
integer, intent(in) :: occs(:,:)
real(kind=long), intent(out) :: ci_matrix(:,:)
integer, intent(in), optional :: nintern
real(kind=long), intent(in), optional :: teint_iiee(:)
real(kind=long), intent(in), optional :: teint_ieie(:)
real(kind=long), intent(in), optional :: teint_iiie(:)