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Atomic-orbital Based Ab-initio Computation at UStc
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Classes | Macros | Functions
math_sphbes_test.cpp File Reference
#include "../math_sphbes.h"
#include <cmath>
#include <cstring>
#include <fstream>
#include <iostream>
#include "mpi.h"
#include "gtest/gtest.h"
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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)
 

Macro Definition Documentation

◆ doublethreshold

#define doublethreshold   1e-7

◆ MAX

#define MAX (   x,
 
)    ((x) > (y) ? (x) : (y))

Function Documentation

◆ main()

int main ( int  argc,
char **  argv 
)

◆ mean()

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:

  • Spherical_Bessel.
  • Spherical_Bessel_Roots
  • overloading of Spherical_Bessel. This funnction sets sjp[i] to 1.0 when i < msh.
  • sphbesj
  • sphbes_zeros
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◆ TEST_F() [1/11]

TEST_F ( Sphbes  ,
Constructor   
)

◆ TEST_F() [2/11]

TEST_F ( Sphbes  ,
Derivatives   
)
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◆ TEST_F() [3/11]

TEST_F ( Sphbes  ,
DerivativesOld   
)
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◆ TEST_F() [4/11]

TEST_F ( Sphbes  ,
dSpherical_Bessel_dx   
)
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◆ TEST_F() [5/11]

TEST_F ( Sphbes  ,
SphericalBessel   
)
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◆ TEST_F() [6/11]

TEST_F ( Sphbes  ,
SphericalBesselPrecisionGrid   
)
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◆ TEST_F() [7/11]

TEST_F ( Sphbes  ,
SphericalBesselPrecisionNearZero   
)
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◆ TEST_F() [8/11]

TEST_F ( Sphbes  ,
SphericalBesselRoots   
)
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◆ TEST_F() [9/11]

TEST_F ( Sphbes  ,
SphericalBesselsjp   
)
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◆ TEST_F() [10/11]

TEST_F ( Sphbes  ,
Zeros   
)
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◆ TEST_F() [11/11]

TEST_F ( Sphbes  ,
ZerosOld   
)
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