plot2cube.cpp File Reference

#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::filename, madness::initialize(), madness::commandlineparser::key_exists(), L, CalculationParameters::L, madness::load(), molecule, madness::Molecule::orient(), madness::position_stream(), madness::World::rank(), madness::FunctionDefaults< NDIM >::set_cubic_cell(), madness::FunctionDefaults< NDIM >::set_k(), madness::FunctionDefaults< NDIM >::set_thresh(), madness::startup(), and madness::commandlineparser::value().