seed_from_dalton.cpp File Reference

#include "dalton_rspvec.hpp"
#include "dalton_gto.hpp"
#include "dalton_mra.hpp"
#include "../GroundState.hpp"
#include "../ResponseProtocol.hpp"
#include "../kernels/tags.hpp"
#include "../solvers/response_state.hpp"
#include "../solvers/es_solver.hpp"
#include "../solvers/es_save_load.hpp"
#include <nlohmann/json.hpp>
#include <madness/mra/mra.h>
#include <madness/world/MADworld.h>
#include <cmath>
#include <filesystem>
#include <fstream>
#include <memory>
#include <optional>
#include <sstream>
#include <string>
#include <vector>

Include dependency graph for seed_from_dalton.cpp:

Functions
int	main (int argc, char **argv)

Function Documentation

main()

int main	(	int	argc,
		char **	argv
	)

References madness::copy(), madness::CoulombOperatorPtr(), e(), madness::finalize(), madness::Molecule::from_json(), madness::initialize(), k, madness::commandlineparser::key_exists(), molecule, madness::name(), madness::print(), madness::World::rank(), madness::scale(), madness::FunctionDefaults< NDIM >::set_cell(), madness::FunctionDefaults< NDIM >::set_k(), madness::FunctionDefaults< NDIM >::set_thresh(), madness::BaseTensor::size(), madness::World::size(), madness::startup(), thresh, madness::transform(), madness::truncate(), v, madness::commandlineparser::value(), madness::commandlineparser::value_raw(), and w().