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Atomic-orbital Based Ab-initio Computation at UStc
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Classes | Typedefs | Functions | Variables
test_partition.cpp File Reference
#include "source_base/module_grid/partition.h"
#include "source_base/module_grid/radial.h"
#include "source_base/module_grid/delley.h"
#include "source_base/constants.h"
#include "gtest/gtest.h"
#include <cmath>
#include <array>
#include <numeric>
#include <chrono>
#include <random>
#include <algorithm>
#include <mpi.h>
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Classes

struct  Param
 
class  PartitionTest
 

Typedefs

using Vec3 = std::array< double, 3 >
 
using iclock = std::chrono::high_resolution_clock
 

Functions

double norm (const Vec3 &v)
 
Vec3 operator- (const Vec3 &v1, const Vec3 &v2)
 
Vec3 operator+ (const Vec3 &v1, const Vec3 &v2)
 
double func_core (const Vec3 &r, double a, double n)
 
double ref_core (double a, double n)
 
double func (const Vec3 &r, const std::vector< Vec3 > &R, const std::vector< double > &a, const std::vector< double > &n)
 
double ref (const std::vector< double > &a, const std::vector< double > &n)
 
std::vector< double > dist_R_R (const std::vector< Vec3 > &R)
 
 TEST_F (PartitionTest, Becke)
 
 TEST_F (PartitionTest, Stratmann)
 
int main (int argc, char **argv)
 

Variables

iclock::time_point start
 
std::chrono::duration< double > dur
 
std::vector< Paramtest_params
 

Typedef Documentation

◆ iclock

using iclock = std::chrono::high_resolution_clock

◆ Vec3

using Vec3 = std::array<double, 3>

Function Documentation

◆ dist_R_R()

std::vector< double > dist_R_R ( const std::vector< Vec3 > &  R)
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◆ func()

double func ( const Vec3 r,
const std::vector< Vec3 > &  R,
const std::vector< double > &  a,
const std::vector< double > &  n 
)
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◆ func_core()

double func_core ( const Vec3 r,
double  a,
double  n 
)
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◆ main()

int main ( int  argc,
char **  argv 
)

◆ norm()

double norm ( const Vec3 v)
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◆ operator+()

Vec3 operator+ ( const Vec3 v1,
const Vec3 v2 
)

◆ operator-()

Vec3 operator- ( const Vec3 v1,
const Vec3 v2 
)

◆ ref()

double ref ( const std::vector< double > &  a,
const std::vector< double > &  n 
)
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◆ ref_core()

double ref_core ( double  a,
double  n 
)
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◆ TEST_F() [1/2]

TEST_F ( PartitionTest  ,
Becke   
)
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◆ TEST_F() [2/2]

TEST_F ( PartitionTest  ,
Stratmann   
)
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Variable Documentation

◆ dur

std::chrono::duration<double> dur

◆ start

iclock::time_point start

◆ test_params

std::vector<Param> test_params