ABACUS develop
Atomic-orbital Based Ab-initio Computation at UStc
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#include "../math_sphbes.h"
#include <cmath>
#include <cstring>
#include <fstream>
#include <iostream>
#include "mpi.h"
#include "gtest/gtest.h"
Classes | |
class | Sphbes |
Macros | |
#define | doublethreshold 1e-7 |
#define | MAX(x, y) ((x) > (y) ? (x) : (y)) |
Functions | |
double | mean (const double *vect, const int totN) |
TEST_F (Sphbes, Constructor) | |
TEST_F (Sphbes, SphericalBessel) | |
TEST_F (Sphbes, dSpherical_Bessel_dx) | |
TEST_F (Sphbes, SphericalBesselRoots) | |
TEST_F (Sphbes, SphericalBesselPrecisionGrid) | |
TEST_F (Sphbes, SphericalBesselPrecisionNearZero) | |
TEST_F (Sphbes, Zeros) | |
TEST_F (Sphbes, ZerosOld) | |
TEST_F (Sphbes, Derivatives) | |
TEST_F (Sphbes, DerivativesOld) | |
int | main (int argc, char **argv) |
TEST_F (Sphbes, SphericalBesselsjp) | |
#define doublethreshold 1e-7 |
#define MAX | ( | x, | |
y | |||
) | ((x) > (y) ? (x) : (y)) |
int main | ( | int | argc, |
char ** | argv | ||
) |
double mean | ( | const double * | vect, |
const int | totN | ||
) |
Note: this unit test try to ensure the invariance of the spherical Bessel produced by class Sphbes, and the reference results are produced by ABACUS at 2022-1-27.
Tested function:
TEST_F | ( | Sphbes | , |
Constructor | |||
) |
TEST_F | ( | Sphbes | , |
Derivatives | |||
) |
TEST_F | ( | Sphbes | , |
DerivativesOld | |||
) |
TEST_F | ( | Sphbes | , |
dSpherical_Bessel_dx | |||
) |
TEST_F | ( | Sphbes | , |
SphericalBessel | |||
) |
TEST_F | ( | Sphbes | , |
SphericalBesselPrecisionGrid | |||
) |
TEST_F | ( | Sphbes | , |
SphericalBesselPrecisionNearZero | |||
) |
TEST_F | ( | Sphbes | , |
SphericalBesselRoots | |||
) |
TEST_F | ( | Sphbes | , |
SphericalBesselsjp | |||
) |
TEST_F | ( | Sphbes | , |
Zeros | |||
) |
TEST_F | ( | Sphbes | , |
ZerosOld | |||
) |