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Namespaces
	mpqc
	The top-level namespace for all Massively Parallel Quantum Chemistry package.

	mpqc::lcao

	mpqc::lcao::detail

Functions
template<typename Tile , typename Policy >
TA::DistArray< Tile, Policy >	mpqc::lcao::detail::compute_mp2_t2 (LCAOFactoryBase< Tile, Policy > &lcao_factory, const std::shared_ptr< const Eigen::VectorXd > &orbital_energy, const std::shared_ptr< const ::mpqc::utility::TRange1Engine > &trange1_engine, bool df)
	compute MP1 T2 amplitudes More...

void	mpqc::lcao::detail::print_ccsd (int iter, double dE, double error, double error_r1, double error_r2, double E1, double time)
	print out details of CCSD iterations More...

Namespaces

Functions