calc_cimatrix_vector_multp Subroutine

public subroutine calc_cimatrix_vector_multp(ut, e_core, f_core, teint_abcd, occs, c, c_out, nintern, teint_iiee, teint_ieie, teint_iiie, accuracy)

calculates the product of the CI matrix with a coefficient vector

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(in) :: c(:)

CI expansion coefficients

real(kind=long), intent(out) :: c_out(size(c,1))

result: CI Matrix x C

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(:)
real(kind=long), intent(in), optional :: accuracy