kmat_nosymm_test.cc File Reference

Tests the sparse exchange matrix construction for non-symmetric density matrices. More...

#include <stdio.h>
#include <unistd.h>
#include <memory>
#include <limits>
#include <vector>
#include "matrix_utilities.h"
#include "integral_matrix_wrappers.h"
#include "integrals_2el_explicit.h"

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

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Detailed Description

Tests the sparse exchange matrix construction for non-symmetric density matrices.

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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::MatrixGeneral::assign_from_sparse(), JK::Params::threshold_K, JK::Params::exchange_box_size, compute_K_by_boxes_sparse_nosymm(), mat::MatrixGeneral::get_all_values(), and do_2e_integral().