calculates the product of the CI matrix with a coefficient vector
Type | Intent | Optional | 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 |