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MADNESS 0.10.1
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#include "../GroundState.hpp"#include "../ResponsePropertyPlanner.hpp"#include "../ResponseProtocol.hpp"#include "../calc/calc_executor.hpp"#include "../solvers/convergence_policy.hpp"#include "../solvers/response_metadata.hpp"#include <nlohmann/json.hpp>#include <madness/misc/info.h>#include <madness/mra/mra.h>#include <madness/world/MADworld.h>#include <madness/world/worldprofile.h>#include <cmath>#include <cstdlib>#include <filesystem>#include <fstream>#include <limits>#include <set>#include <sstream>#include <string>#include <vector>
Functions | |
| int | main (int argc, char **argv) |
| int main | ( | int | argc, |
| char ** | argv | ||
| ) |
References madness::WorldGopInterface::broadcast(), madness::CoulombOperatorPtr(), e(), madness::f, madness::finalize(), madness::Molecule::from_json(), madness::FunctionDefaults< NDIM >::get_k(), madness::FunctionDefaults< NDIM >::get_thresh(), madness::World::gop, madness::initialize(), k, madness::commandlineparser::key_exists(), madness::loaded, molecule, madness::name(), madness::Molecule::natom(), ok(), madness::print(), madness::project(), madness::World::rank(), madness::startup(), madness::to_string(), madness::commandlineparser::value(), madness::commandlineparser::value_raw(), and w().