ABACUS develop
Atomic-orbital Based Ab-initio Computation at UStc
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#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>
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< Param > | test_params |
using iclock = std::chrono::high_resolution_clock |
using Vec3 = std::array<double, 3> |
std::vector< double > dist_R_R | ( | const std::vector< Vec3 > & | R | ) |
double func | ( | const Vec3 & | r, |
const std::vector< Vec3 > & | R, | ||
const std::vector< double > & | a, | ||
const std::vector< double > & | n | ||
) |
double func_core | ( | const Vec3 & | r, |
double | a, | ||
double | n | ||
) |
int main | ( | int | argc, |
char ** | argv | ||
) |
double norm | ( | const Vec3 & | v | ) |
double ref | ( | const std::vector< double > & | a, |
const std::vector< double > & | n | ||
) |
double ref_core | ( | double | a, |
double | n | ||
) |
TEST_F | ( | PartitionTest | , |
Becke | |||
) |
TEST_F | ( | PartitionTest | , |
Stratmann | |||
) |
std::chrono::duration<double> dur |
iclock::time_point start |
std::vector<Param> test_params |