testlda.cc File Reference

#include <madness/world/MADworld.h>
#include <madness/mra/mra.h>
#include <madness/tensor/tensor.h>
#include <fstream>
#include "xcfunctional.h"

Include dependency graph for testlda.cc:

Classes
struct	xcfunc_data_point

Functions
int	main (int argc, char **argv)
void	test_lda (World &world)

Function Documentation

main()

int main	(	int	argc,
		char **	argv )

References SafeMPI::COMM_WORLD, madness::WorldGopInterface::fence(), madness::finalize(), madness::World::gop, madness::initialize(), and test_lda().

test_lda()

void test_lda

(

World &

world

)

References e(), madness::XCfunctional::exc(), madness::XCfunctional::initialize(), N, madness::print(), v, and madness::XCfunctional::vxc().

Referenced by main().