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::initialize(), K(), lo, madness::matrix_inner(), maxiter, molecule, madness::norm2(), madness::Molecule::nuclear_repulsion_energy(), madness::orthonormalize(), madness::Molecule::print(), 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(), T(), madness::Molecule::total_nuclear_charge(), madness::transform(), madness::truncate(), V(), and madness::wall_time().