ergo
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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[]) |
Tests the potential energy matrix construction.
The purpose of the test in its current form is mostly to verify compilation correctness.
int main | ( | int | argc, |
char * | argv[] | ||
) |
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] |
static int test_V_by_explicit_comparison_tight | ( | const IntegralInfo & | integralInfo | ) | [static] |