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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 | |||
| ) |