cal_pLpR_test.cpp File Reference

#include <gtest/gtest.h>
#include <complex>
#include <memory>
#include <vector>
#include <cmath>
#include <mpi.h>
#include "source_io/module_hs/cal_pLpR.h"
#include "source_basis/module_nao/two_center_integrator.h"
#include "source_basis/module_nao/radial_collection.h"
#include "source_base/spherical_bessel_transformer.h"
#include "source_base/ylm.h"

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Classes
class	CalpLpRTest

Macros
#define	DOUBLETHRESHOLD   1e-12

Functions
	TEST_F (CalpLpRTest, CalLzijRTest)
	TEST_F (CalpLpRTest, CalLxijRTest)
	TEST_F (CalpLpRTest, CalLyijRTest)
int	main (int argc, char **argv)

Macro Definition Documentation

DOUBLETHRESHOLD

#define DOUBLETHRESHOLD   1e-12

Unit-test of cal_pLpR.cpp

The representation matrices for Lx, Ly and Lz operators (SO(3) generators). On basis {s}: Lx: Ly: Lz: 0 0 0

On basis {px, py, pz}: Lx: Ly: Lz: px py pz px py pz px py pz px 0 px 0 i px 0 -i py 0 -i py 0 py i 0 pz i 0 pz -i 0 pz 0

will test if the calculated values are close to the above results.

Function Documentation

main()

int main	(	int	argc,
		char **	argv
	)

TEST_F() [1/3]

TEST_F	(	CalpLpRTest	,
		CalLxijRTest
	)

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TEST_F() [2/3]

TEST_F	(	CalpLpRTest	,
		CalLyijRTest
	)

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TEST_F() [3/3]

TEST_F	(	CalpLpRTest	,
		CalLzijRTest
	)

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