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Atomic-orbital Based Ab-initio Computation at UStc
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Functions | Variables
Cal_Test Namespace Reference

Functions

void test_memory (const int nat, const int ntype, const ModuleBase::Matrix3 &GGT, const ModulePW::PW_Basis *rhopw, const ModulePW::PW_Basis_K *wfcpw, const std::string chr_mixing_mode, const int chr_mixing_ndim)
 
int cal_np (const ModuleBase::Matrix3 &GGT, const double &ggcut, const int &n1, const int &n2, const int &n3)
 compute the number of plane waves
 
void print_mem (const int &nproc)
 

Variables

double mporter =0.0
 
double mrho =0.0
 
double mrho_save =0.0
 
double mrho_core =0.0
 
double mRrho =0.0
 
double mdRrho =0.0
 
double mdrho =0.0
 
double mrho_save2 =0.0
 
double mvltot =0.0
 
double mvr =0.0
 
double mvrs =0.0
 
double mvrs1 =0.0
 
double mvnew =0.0
 
double mrhog =0.0
 
double mrhog_save =0.0
 
double mrhog_core =0.0
 
double mhs =0.0
 
double mwf =0.0
 
double mnonzero =0.0
 
double mspar_hsrho =0.0
 
double mgvec =0.0
 
double mig2fftw =0.0
 
double mig2fftc =0.0
 
double mgg =0.0
 
double mig123 =0.0
 
double mstrucFac =0.0
 
double meigts123 =0.0
 
double mtot =0.0
 

Function Documentation

◆ cal_np()

int Cal_Test::cal_np ( const ModuleBase::Matrix3 GGT,
const double &  ggcut,
const int &  n1,
const int &  n2,
const int &  n3 
)

compute the number of plane waves

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◆ print_mem()

void Cal_Test::print_mem ( const int &  nproc)
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◆ test_memory()

void Cal_Test::test_memory ( const int  nat,
const int  ntype,
const ModuleBase::Matrix3 GGT,
const ModulePW::PW_Basis rhopw,
const ModulePW::PW_Basis_K wfcpw,
const std::string  chr_mixing_mode,
const int  chr_mixing_ndim 
)
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Variable Documentation

◆ mdrho

double Cal_Test::mdrho =0.0
extern

◆ mdRrho

double Cal_Test::mdRrho =0.0
extern

◆ meigts123

double Cal_Test::meigts123 =0.0
extern

◆ mgg

double Cal_Test::mgg =0.0
extern

◆ mgvec

double Cal_Test::mgvec =0.0
extern

◆ mhs

double Cal_Test::mhs =0.0
extern

◆ mig123

double Cal_Test::mig123 =0.0
extern

◆ mig2fftc

double Cal_Test::mig2fftc =0.0
extern

◆ mig2fftw

double Cal_Test::mig2fftw =0.0
extern

◆ mnonzero

double Cal_Test::mnonzero =0.0
extern

◆ mporter

double Cal_Test::mporter =0.0
extern

◆ mrho

double Cal_Test::mrho =0.0
extern

◆ mrho_core

double Cal_Test::mrho_core =0.0
extern

◆ mrho_save

double Cal_Test::mrho_save =0.0
extern

◆ mrho_save2

double Cal_Test::mrho_save2 =0.0
extern

◆ mrhog

double Cal_Test::mrhog =0.0
extern

◆ mrhog_core

double Cal_Test::mrhog_core =0.0
extern

◆ mrhog_save

double Cal_Test::mrhog_save =0.0
extern

◆ mRrho

double Cal_Test::mRrho =0.0
extern

◆ mspar_hsrho

double Cal_Test::mspar_hsrho =0.0
extern

◆ mstrucFac

double Cal_Test::mstrucFac =0.0
extern

◆ mtot

double Cal_Test::mtot =0.0
extern

◆ mvltot

double Cal_Test::mvltot =0.0
extern

◆ mvnew

double Cal_Test::mvnew =0.0
extern

◆ mvr

double Cal_Test::mvr =0.0
extern

◆ mvrs

double Cal_Test::mvrs =0.0
extern

◆ mvrs1

double Cal_Test::mvrs1 =0.0
extern

◆ mwf

double Cal_Test::mwf =0.0
extern