#include <madness/mra/mra.h>#include <madness/mra/funcplot.h>#include "madness/mra/commandlineparser.h"#include <madness/chem/CalculationParameters.h>#include <madness/chem/molecule.h>
Include dependency graph for plot2cube.cpp:
Functions | |
| int | main (int argc, char **argv) |
Function Documentation
◆ main()
| int main | ( | int | argc, |
| char ** | argv | ||
| ) |
References aobasis, SafeMPI::COMM_WORLD, madness::Molecule::cubefile_header(), madness::f, madness::QCCalculationParametersBase::file_exists(), madness::filename, madness::initialize(), madness::commandlineparser::key_exists(), L, madness::CalculationParameters::L(), madness::load(), molecule, madness::Molecule::orient(), madness::position_stream(), madness::World::rank(), madness::FunctionDefaults< NDIM >::set_cubic_cell(), madness::CalculationParameters::set_derived_values(), madness::FunctionDefaults< NDIM >::set_k(), madness::FunctionDefaults< NDIM >::set_thresh(), madness::startup(), and madness::commandlineparser::value().
