jmat_extrapolate_test.cc File Reference

Tests the error extrapolation scheme for the Coulomb matrix. More...

#include <stdio.h>
#include <unistd.h>
#include <memory>
#include <limits>
#include <vector>
#include "scf_utils.h"
#include "matrix_utilities.h"
#include "mat_acc_extrapolate.h"
#include "integral_matrix_wrappers.h"

Classes
class	Jworkertest

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

Detailed Description

Tests the error extrapolation scheme for the Coulomb matrix.

Function Documentation

main()

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

References Molecule::addAtom(), BasisInfoStruct::addBasisfuncsForMolecule(), charge, compute_J_by_boxes_sparse(), ERGO_SPREFIX, JK::Params::fmm_box_size, mat::getMachineEpsilon(), mat::Params::getMatrixParallelLevel(), getMatrixPermutation(), mat::Params::getNProcs(), MatAccInvestigator< Treal, Tworker >::GetScanResult(), BasisInfoStruct::noOfBasisFuncs, prepareMatrixSizesAndBlocks(), MatAccInvestigator< Treal, Tworker >::Scan(), mat::Params::setMatrixParallelLevel(), and mat::Params::setNProcs().