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[])

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Detailed Description

Tests the error extrapolation scheme for the Coulomb matrix.

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Function Documentation

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

References mat::Params::setNProcs(), mat::Params::setMatrixParallelLevel(), mat::Params::getNProcs(), mat::Params::getMatrixParallelLevel(), charge, Molecule::addAtom(), ERGO_SPREFIX, prepareMatrixSizesAndBlocks(), getMatrixPermutation(), mat::MatrixBase::resetSizesAndBlocks(), mat::MatrixSymmetric::add_values(), MatAccInvestigator::Scan(), MatAccInvestigator::GetScanResult(), JK::Params::fmm_box_size, compute_J_by_boxes_sparse(), and mat::MatrixSymmetric::eucl().