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Atomic-orbital Based Ab-initio Computation at UStc
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Macros | Functions
band_energy_test.cpp File Reference
#include "source_lcao/module_rt/band_energy.h"
#include <gtest/gtest.h>
#include <source_base/module_external/scalapack_connector.h>
#include <mpi.h>
#include "source_basis/module_ao/parallel_orbitals.h"
#include "source_lcao/module_rt/evolve_elec.h"
#include "tddft_test.h"
Include dependency graph for band_energy_test.cpp:

Macros

#define doublethreshold   1e-8
 

Functions

 TEST (BandEnergyTest, testBandEnergy)
 

Macro Definition Documentation

◆ doublethreshold

#define doublethreshold   1e-8
  • Tested Function
    • compute_ekb
      • compute band energy ekb <psi_i|H|psi_i>.

Function Documentation

◆ TEST()

TEST ( BandEnergyTest  ,
testBandEnergy   
)
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