oep.cc File Reference

#include <madness/chem/oep.h>
#include <madness/misc/info.h>

Include dependency graph for apps/oep/oep.cc:

Functions
int	main (int argc, char **argv)
void	write_test_input ()
	Create a specific test input for the Be atom.

Function Documentation

main()

int main	(	int	argc,
		char **	argv
	)

References madness::finalize(), madness::OEP::help(), madness::initialize(), madness::commandlineparser::key_exists(), molecule, madness::nonlinear_vector_solver(), madness::print(), madness::print_header1(), madness::OEP::print_parameters(), madness::info::print_revision_information(), madness::World::rank(), madness::commandlineparser::set_keyval(), madness::startup(), and test().

write_test_input()

void write_test_input

(

)

Create a specific test input for the Be atom.

References madness::filename, and madness::nonlinear_vector_solver().