vmat_test.cc File Reference

Tests the potential energy matrix construction. More...

#include <stdio.h>
#include <unistd.h>
#include <memory>
#include <limits>
#include "integrals_1el_potential.h"
#include "integrals_1el_single.h"
#include "integrals_general.h"
#include "matrix_typedefs.h"
#include "integral_matrix_wrappers.h"
#include "matrix_utilities.h"

Functions
static void	preparePermutations (const BasisInfoStruct &basisInfo, mat::SizesAndBlocks &sizeBlockInfo, std::vector< int > &permutation, std::vector< int > &inversePermutation)
static int	test_S_V_comparison (const IntegralInfo &integralInfo)
static int	test_V_by_explicit_comparison (const IntegralInfo &integralInfo)
static int	test_V_by_explicit_comparison_tight (const IntegralInfo &integralInfo)
int	main (int argc, char *argv[])

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Detailed Description

Tests the potential energy matrix construction.

The purpose of the test in its current form is mostly to verify compilation correctness.

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Function Documentation

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

References test_S_V_comparison(), test_V_by_explicit_comparison(), and test_V_by_explicit_comparison_tight().

static void preparePermutations	(	const BasisInfoStruct &	basisInfo,
		mat::SizesAndBlocks &	sizeBlockInfo,
		std::vector< int > &	permutation,
		std::vector< int > &	inversePermutation
	)		[static]

References prepareMatrixSizesAndBlocks(), BasisInfoStruct::noOfBasisFuncs, and getMatrixPermutation().

Referenced by test_S_V_comparison(), test_V_by_explicit_comparison(), and test_V_by_explicit_comparison_tight().

static int test_S_V_comparison

(

const IntegralInfo &

integralInfo

)

[static]

References preparePermutations(), mat::MatrixBase::resetSizesAndBlocks(), compute_overlap_matrix_sparse(), compute_V_sparse(), and mat::MatrixSymmetric::frob_diff().

Referenced by main().

static int test_V_by_explicit_comparison

(

const IntegralInfo &

integralInfo

)

[static]

References preparePermutations(), mat::MatrixBase::resetSizesAndBlocks(), compute_V_sparse(), mat::MatrixSymmetric::fullMatrix(), get_product_simple_primitives(), do_1e_repulsion_integral_using_symb_info(), and compute_V_matrix_full().

Referenced by main().

static int test_V_by_explicit_comparison_tight

(

const IntegralInfo &

integralInfo

)

[static]

References preparePermutations(), mat::MatrixBase::resetSizesAndBlocks(), compute_V_sparse(), mat::MatrixSymmetric::fullMatrix(), get_product_simple_primitives(), and do_1e_repulsion_integral_using_symb_info().

Referenced by main().