examples/nemo.cc File Reference

solve the HF equations using numerical exponential MOs More...

#include <chem/nemo.h>

Include dependency graph for examples/nemo.cc:

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

Detailed Description

solve the HF equations using numerical exponential MOs

The source is <a href=http://code.google.com/p/m-a-d-n-e-s-s/source/browse/local /trunk/src/apps/examples/nemo.h>here.

The source is <a href=http://code.google.com/p/m-a-d-n-e-s-s/source/browse/local /trunk/src/apps/examples/nemo.cc>here.

Function Documentation

int main	(	int	argc,
		char **	argv
	)

References SafeMPI::COMM_WORLD, energy(), madness::finalize(), madness::initialize(), madness::SCF::molecule, madness::SCF::param, madness::print(), madness::Molecule::print(), madness::CalculationParameters::print(), madness::World::rank(), madness::startup(), madness::Nemo::value(), and madness::wall_time().