real_gaunt_table_test.cpp File Reference

#include "source_basis/module_nao/real_gaunt_table.h"
#include "gtest/gtest.h"
#include <iostream>
#include <fstream>
#include <mpi.h>
#include <chrono>
#include "source_base/constants.h"
#include "source_basis/module_ao/ORB_gaunt_table.h"

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Classes
class	RealGauntTableTest
struct	gaunt_ans
	gaunt function test: Use the sympy gaunt function run results as the test set. Test set results are stored in Gaunt.txt with data structure l1 l2 l3 m1 m2 m3 gaunt(l1,l2,l3,m1,m2,m3). Double precision machine error (1e-15) is used to compare the accuracy of the function in abacus and the gaunt function in sumpy. More...

Macros
#define	len_gaunt   7242

Typedefs
using	iclock = std::chrono::high_resolution_clock

Functions
	TEST_F (RealGauntTableTest, LegacyConsistency)
	TEST_F (RealGauntTableTest, SanityCheck)
	TEST_F (RealGauntTableTest, Check2)
	real gaunt function test: Using sympy realgaunt function test points set. 2 failed test case with a sign error occurred on some cases of the actual Gaunt coefficients of 2 negative m
	TEST_F (RealGauntTableTest, Check3)
int	main (int argc, char **argv)

Variables
struct gaunt_ans	gaunt_ans

Macro Definition Documentation

len_gaunt

#define len_gaunt   7242

Typedef Documentation

iclock

using iclock = std::chrono::high_resolution_clock

Function Documentation

main()

int main	(	int	argc,
		char **	argv
	)

TEST_F() [1/4]

TEST_F	(	RealGauntTableTest	,
		Check2
	)

real gaunt function test: Using sympy realgaunt function test points set. 2 failed test case with a sign error occurred on some cases of the actual Gaunt coefficients of 2 negative m

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TEST_F() [2/4]

TEST_F	(	RealGauntTableTest	,
		Check3
	)

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TEST_F() [3/4]

TEST_F	(	RealGauntTableTest	,
		LegacyConsistency
	)

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TEST_F() [4/4]

TEST_F	(	RealGauntTableTest	,
		SanityCheck
	)

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Variable Documentation

gaunt_ans

struct gaunt_ans gaunt_ans