|
ABACUS develop
Atomic-orbital Based Ab-initio Computation at UStc
|
#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 |