diago_bpcg_test.cpp File Reference

#include "source_base/inverse_matrix.h"
#include "source_base/module_external/lapack_connector.h"
#include "source_pw/module_pwdft/structure_factor.h"
#include "source_psi/psi.h"
#include "source_hamilt/hamilt.h"
#include "source_pw/module_pwdft/hamilt_pw.h"
#include "../diago_iter_assist.h"
#include "../diago_bpcg.h"
#include "diago_mock.h"
#include "mpi.h"
#include "source_basis/module_pw/test/test_tool.h"
#include <gtest/gtest.h>
#include <complex>
#include <random>

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Classes
class	DiagoBPCGPrepare
class	DiagoBPCGTest

Functions
void	lapackEigen (int &npw, std::vector< std::complex< double > > &hm, double *e, bool outtime=false)
	TEST_P (DiagoBPCGTest, RandomHamilt)
	INSTANTIATE_TEST_SUITE_P (VerifyCG, DiagoBPCGTest, ::testing::Values(DiagoBPCGPrepare(10, 500, 0, true, 1e-5, 300, 5e-2), DiagoBPCGPrepare(20, 500, 6, true, 1e-5, 300, 5e-2), DiagoBPCGPrepare(20, 1000, 8, true, 1e-5, 300, 5e-2), DiagoBPCGPrepare(40, 1000, 8, true, 1e-6, 300, 5e-2)))
	TEST (DiagoBPCGTest, Hamilt)
	TEST (DiagoBPCGTest, readH)
int	main (int argc, char **argv)

Function Documentation

INSTANTIATE_TEST_SUITE_P()

INSTANTIATE_TEST_SUITE_P	(	VerifyCG	,
		DiagoBPCGTest	,
		::testing::Values(DiagoBPCGPrepare(10, 500, 0, true, 1e-5, 300, 5e-2), DiagoBPCGPrepare(20, 500, 6, true, 1e-5, 300, 5e-2), DiagoBPCGPrepare(20, 1000, 8, true, 1e-5, 300, 5e-2), DiagoBPCGPrepare(40, 1000, 8, true, 1e-6, 300, 5e-2))
	)

lapackEigen()

void lapackEigen	(	int &	npw,
		std::vector< std::complex< double > > &	hm,
		double *	e,
		bool	outtime = false
	)

Class Diago_BPCG is an approach for eigenvalue problems This unittest test the function Diago_BPCG::diag() for FPTYPE=double, Device=cpu with different examples.

• the Hermite matrices (npw=500,1000) produced using random numbers and with sparsity of 0%, 60%, 80%
• the Hamiltonian matrix read from "data-H", produced by using out_hs in INPUT of a LCAO calculation
• a 2x2 Hermite matrix for learning and checking

Note: The test is passed when the eignvalues are closed to these calculated by LAPACK. It is used together with a header file diago_mock.h. The default Hermite matrix generated here is real symmetric, one can add an imaginary part by changing two commented out lines in diago_mock.h.

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main()

int main	(	int	argc,
		char **	argv
	)

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TEST() [1/2]

TEST	(	DiagoBPCGTest	,
		Hamilt
	)

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TEST() [2/2]

TEST	(	DiagoBPCGTest	,
		readH
	)

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TEST_P()

TEST_P	(	DiagoBPCGTest	,
		RandomHamilt
	)

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