Program Listing for File four_electron_utils.hpp

↰ Return to documentation for file (src/four_electron/four_electron_utils.hpp)

#ifndef UW12_FOUR_ELECTRON_UTILS_HPP
#define UW12_FOUR_ELECTRON_UTILS_HPP

#include "integrals/integrals.hpp"
#include "utils/utils.hpp"

namespace uw12::four_el {

double get_energy_spin_factor(
    size_t n_spin,
    size_t sigma,
    size_t sigmaprime,
    double scale_opp_spin,
    double scale_same_spin
);

utils::MatVec calculate_tab(
    const integrals::Integrals& W, const integrals::Integrals& V
);

utils::MatVec calculate_ttilde(
    const integrals::Integrals& W,
    const integrals::Integrals& V,
    const utils::MatVec& tab
);

utils::MatVec calculate_ttilde(
    const integrals::Integrals& W, const integrals::Integrals& V
);

}  // namespace uw12::four_el

#endif