simple_hf.cpp File Reference

#include <madness.h>
#include <madchem.h>

Include dependency graph for simple_hf.cpp:

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

Function Documentation

main()

int main	(	int	argc,
		char *	argv[] )

References madness::_(), aobasis, madness::dot(), e(), energy, madness::finalize(), madness::FunctionDefaults< NDIM >::get_thresh(), madness::initialize(), lo, madness::matrix_inner(), maxiter, molecule, madness::nonlinear_vector_solver(), madness::norm2(), madness::orthonormalize(), madness::SCF::project_ao_basis_only(), residual(), madness::FunctionDefaults< NDIM >::set_cubic_cell(), madness::FunctionDefaults< NDIM >::set_k(), madness::FunctionDefaults< NDIM >::set_thresh(), madness::FunctionDefaults< NDIM >::set_truncate_mode(), madness::World::size(), madness::startup(), madness::sygv(), madness::transform(), madness::truncate(), V(), and madness::wall_time().

Referenced by main().