HΦ  3.2.0
global.h File Reference
#include <complex.h>
#include <math.h>
#include <stdio.h>
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Macros

#define D_FileNameMax   256
 
#define MPIFALSE   -1
 
#define FALSE   0
 
#define TRUE   1
 
#define ITINERANT   0
 
#define LOCSPIN   1
 

Variables

double complex * v0
 
double complex * v1
 
double complex * v2
 
double complex * v1buf
 
double complex * v1Org
 
double complex * vg
 
double * alpha
 
double * beta
 
double complex ** vec
 
double * list_Diagonal
 
long unsigned int * list_1
 
long unsigned int * list_1buf
 
long unsigned int * list_2_1
 
long unsigned int * list_2_2
 
long unsigned int * list_1_org
 
long unsigned int * list_1buf_org
 
long unsigned int * list_2_1_org
 
long unsigned int * list_2_2_org
 
int initial_mode
 
double LargeValue
 
int NumAve
 
int step_i
 
double global_norm
 
double global_1st_norm
 
int step_spin
 
double complex ** Ham
 
double complex ** L_vec
 
const char * cParentOutputFolder
 
const char * cFileNameTimeKeep
 
const char * cFileNameSzTimeKeep
 
const char * cFileNameCheckCoulombIntra
 
const char * cFileNameCheckChemi
 
const char * cFileNameCheckInterU
 
const char * cFileNameCheckHund
 
const char * cFileNameCheckInterAll
 
const char * cFileNameCheckMemory
 
const char * cFileNameCheckSdim
 
const char * cFileNameWarningOnTransfer
 
const char * cFileNameLanczosStep
 
const char * cFileNameEnergy_Lanczos
 
const char * cFileNameEigenvalue_Lanczos
 
const char * cFileNameEnergy_CG
 
const char * cFileName1BGreen_Lanczos
 
const char * cFileName1BGreen_CG
 
const char * cFileName2BGreen_Lanczos
 
const char * cFileName2BGreen_CG
 
const char * cFileNameTimeEV_CG
 
const char * cFileNameListModel
 
const char * cFileNameOutputEigen
 
const char * cFileNameInputEigen
 
const char * cFileNameCalcDynamicalGreen
 
const char * cFileNameTridiagonalMatrixComponents
 
const char * cFileNameSSRand
 
const char * cFileNameTPQStep
 
const char * cFileNameNormRand
 
const char * cFileNameFlctRand
 
const char * cFileName1BGreen_TPQ
 
const char * cFileName2BGreen_TPQ
 
const char * cFileName1BGreen_TE
 
const char * cFileName2BGreen_TE
 
const char * cFileNameOutputVector
 
const char * cFileNameInputVector
 
const char * cFileNameTEStep
 
const char * cFileNameSS
 
const char * cFileNameNorm
 
const char * cFileNameFlct
 
const char * cFileNamePhys_FullDiag
 
const char * cFileNamePhys_FullDiag_GC
 
const char * cFileName1BGreen_FullDiag
 
const char * cFileName2BGreen_FullDiag
 
const char * cFileNamePhys_FullDiag_Ham
 
const char * cFileNameOutputRestartVec
 
const char * cFileNameOutputExcitedVec
 
const char * cFileNameErrorSz
 
double * Timer
 
double * TimerStart
 
double eps
 
double eps_CG
 
double eps_Lanczos
 
double eps_Energy
 
double eps_CheckImag0
 
int nproc
 Number of processors, defined in InitializeMPI() More...
 
int myrank
 Process ID, defined in InitializeMPI() More...
 
int nthreads
 Number of Threads, defined in InitializeMPI() More...
 
FILE * stdoutMPI
 File pointer to the standard output defined in InitializeMPI() More...
 

Macro Definition Documentation

◆ D_FileNameMax

◆ FALSE

#define FALSE   0

Definition at line 25 of file global.h.

Referenced by BitCheckGeneral(), CalcByFullDiag(), CalcByLanczos(), CalcByLOBPCG(), CalcByTEM(), CalcByTPQ(), CalcSpectrum(), CalcSpectrumByTPQ(), check(), CheckBit_Ajt(), CheckBit_Cis(), CheckBit_InterAllPE(), CheckBit_PairPE(), CheckGeneralSpinIndexForInterAll(), CheckInterAllHermite(), CheckLocSpin(), CheckMPI(), CheckMPI_Summary(), CheckPE(), CheckSpinIndexForTrans(), CheckTETransferHermite(), CheckTotal2Sz(), CheckTransferHermite(), CisAjt(), ConvertToList1GeneralSpin(), expec_cisajs_Spin(), expec_cisajs_SpinGC(), expec_cisajscktalt_Spin(), expec_cisajscktalt_SpinGC(), expec_cisajscktalt_SpinGCGeneral(), expec_cisajscktalt_SpinGeneral(), expec_energy_flct(), GetCalcSpectrumTPQ(), GetExcitedState(), GetlistSize(), GetOffComp(), GetOffCompGeneralSpin(), GetPairExcitedState(), GetPairExcitedStateGeneralSpin(), GetPairExcitedStateGeneralSpinGC(), GetPairExcitedStateHalfSpin(), GetPairExcitedStateHalfSpinGC(), GetPairExcitedStateSpin(), GetPairExcitedStateSpinGC(), GetSgnInterAll(), GetSingleExcitedState(), GetSpectrumByTridiagonalMatrixComponents(), MakeExcitedList(), makeHam(), mltply(), mltplySpin(), mltplySpinGC(), OutputTMComponents(), ReadDefFileIdxPara(), ReadDefFileNInt(), ReadTMComponents(), SetDiagonalChemi(), SetDiagonalInterAll(), SetDiagonalTEChemi(), SetDiagonalTEInterAll(), SetDiagonalTETransfer(), SetOmega(), solve_2ndPolinomial(), sz(), totalspin_Spin(), totalspin_SpinGC(), totalSz_SpinGC(), X_child_CisAis_Hubbard_MPI(), X_child_CisAisCjuAju_GeneralSpin_MPIdouble(), X_child_CisAisCjuAju_GeneralSpin_MPIsingle(), X_child_CisAitCjuAjv_GeneralSpin_MPIdouble(), X_child_CisAjtCkuAlv_Hubbard_MPI(), X_GC_child_CisAis_Hubbard_MPI(), X_GC_child_CisAisCjuAju_GeneralSpin_MPIsingle(), X_GC_child_CisAitCjuAjv_GeneralSpin_MPIdouble(), X_GC_child_CisAjtCkuAku_Hubbard_MPI(), and X_GC_child_CisAjtCkuAlv_Hubbard_MPI().

◆ ITINERANT

#define ITINERANT   0

Kind of electron. For ver.0.1, ITINERANT=1. From ver.0.2, ITINERANT=0.

Definition at line 31 of file global.h.

Referenced by CheckFormatForKondoInt(), CheckLocSpin(), CheckMPI(), child_omp_sz_Kondo(), child_omp_sz_Kondo_hacker(), child_omp_sz_KondoGC(), ReadDefFileIdxPara(), and sz().

◆ LOCSPIN

#define LOCSPIN   1

Definition at line 32 of file global.h.

Referenced by CheckLocSpin().

◆ MPIFALSE

#define MPIFALSE   -1

Definition at line 24 of file global.h.

Referenced by check(), main(), and MakeExcitedList().

◆ TRUE

#define TRUE   1

Definition at line 26 of file global.h.

Referenced by BitCheckGeneral(), CalcByFullDiag(), CalcByLanczos(), CalcByLOBPCG(), CalcByTEM(), CalcByTPQ(), CalcSpectrum(), CalcSpectrumByBiCG(), CalcSpectrumByFullDiag(), CalcSpectrumByTPQ(), check(), CheckBit_Ajt(), CheckBit_Cis(), CheckBit_InterAllPE(), CheckBit_PairPE(), CheckGeneralSpinIndexForInterAll(), CheckInterAllCondition(), CheckInterAllHermite(), CheckLocSpin(), CheckMPI(), CheckPE(), CheckSpinIndexForTrans(), CheckTETransferHermite(), CheckTotal2Sz(), CheckTransferHermite(), child_exchange_element(), child_pairhopp_element(), ConvertToList1GeneralSpin(), expec_cisajs_Hubbard(), expec_cisajscktalt_Hubbard(), expec_cisajscktalt_HubbardGC(), GetCalcSpectrumTPQ(), GetExcitedState(), GetlistSize(), GetOffComp(), GetOffCompGeneralSpin(), GetPairExcitedStateGeneralSpin(), GetPairExcitedStateGeneralSpinGC(), GetPairExcitedStateHalfSpin(), GetPairExcitedStateHalfSpinGC(), GetPairExcitedStateHubbard(), GetPairExcitedStateHubbardGC(), GetSgnInterAll(), GetSingleExcitedState(), GetSingleExcitedStateHubbard(), GetSingleExcitedStateHubbardGC(), GetSpectrumByTridiagonalMatrixComponents(), Lanczos_EigenValue(), Lanczos_GetTridiagonalMatrixComponents(), main(), MakeExcitedList(), mltplyGeneralSpin(), mltplyGeneralSpinGC(), mltplyHubbard(), mltplyHubbardGC(), OutputTMComponents(), OutputTMComponents_BiCG(), PowerLanczos(), ReadcalcmodFile(), ReadDefFileIdxPara(), ReadDefFileNInt(), ReadTMComponents(), setmem_large(), SetOmega(), solve_2ndPolinomial(), sz(), totalspin_Spin(), X_Ajt(), X_child_CisAisCjtAjt_Hubbard_MPI(), X_child_CisAit_GeneralSpin_MPIdouble(), X_child_CisAitCjuAjv_GeneralSpin_MPIdouble(), X_child_CisAitCjuAjv_GeneralSpin_MPIsingle(), X_child_CisAjtCkuAku_Hubbard_MPI(), X_child_CisAjtCkuAlv_Hubbard_MPI(), X_Cis(), X_CisAjt(), X_GC_child_CisAis_Hubbard_MPI(), X_GC_child_CisAisCjtAjt_Hubbard_MPI(), X_GC_child_CisAisCjuAju_GeneralSpin_MPIdouble(), X_GC_child_CisAisCjuAjv_GeneralSpin_MPIdouble(), X_GC_child_CisAisCjuAjv_GeneralSpin_MPIsingle(), X_GC_child_CisAisCjuAjv_spin_MPIdouble(), X_GC_child_CisAit_GeneralSpin_MPIdouble(), X_GC_child_CisAitCjuAju_GeneralSpin_MPIdouble(), X_GC_child_CisAitCjuAju_GeneralSpin_MPIsingle(), X_GC_child_CisAitCjuAjv_GeneralSpin_MPIdouble(), X_GC_child_CisAitCjuAjv_GeneralSpin_MPIsingle(), X_GC_child_CisAjtCkuAku_Hubbard_MPI(), and X_GC_child_CisAjtCkuAlv_Hubbard_MPI().

Variable Documentation

◆ alpha

◆ beta

double * beta

Tridiagonal components used in Lanczos mode.

Definition at line 44 of file global.h.

Referenced by CalcSpectrumByTPQ(), CG_EigenVector(), Lanczos_EigenValue(), Lanczos_EigenVector(), Lanczos_GetTridiagonalMatrixComponents(), ReadTMComponents(), and setmem_large().

◆ cFileName1BGreen_CG

const char* cFileName1BGreen_CG

Name of the file to output One-Body Green's functions obtained by Lanczos method.

Definition at line 105 of file global.h.

◆ cFileName1BGreen_FullDiag

const char* cFileName1BGreen_FullDiag

Name of the file to output physical values for grand canonical ensemble.

Definition at line 136 of file global.h.

◆ cFileName1BGreen_Lanczos

const char* cFileName1BGreen_Lanczos

Name of the file to output energies obtained by CG method.

Definition at line 104 of file global.h.

◆ cFileName1BGreen_TE

const char* cFileName1BGreen_TE

Name of the file to output two-body Green's functions for TPQ calculation.

Definition at line 122 of file global.h.

◆ cFileName1BGreen_TPQ

const char* cFileName1BGreen_TPQ

Name of the Flct file.

Definition at line 120 of file global.h.

◆ cFileName2BGreen_CG

const char* cFileName2BGreen_CG

Name of the file to output Two-Body Green's functions obtained by Lanczos method.

Definition at line 107 of file global.h.

◆ cFileName2BGreen_FullDiag

const char* cFileName2BGreen_FullDiag

Name of the file to output one-body Green's functions for Full diagonalization.

Definition at line 137 of file global.h.

◆ cFileName2BGreen_Lanczos

const char* cFileName2BGreen_Lanczos

Name of the file to output One-Body Green's functions obtained by CG method.

Definition at line 106 of file global.h.

◆ cFileName2BGreen_TE

const char* cFileName2BGreen_TE

Name of the file to output one-body Green's functions for Time Evolution calculation.

Definition at line 123 of file global.h.

◆ cFileName2BGreen_TPQ

const char* cFileName2BGreen_TPQ

Name of the file to output one-body Green's functions for TPQ calculation.

Definition at line 121 of file global.h.

◆ cFileNameCalcDynamicalGreen

const char* cFileNameCalcDynamicalGreen

Name of the file to input eigen vector.

Definition at line 112 of file global.h.

◆ cFileNameCheckChemi

const char* cFileNameCheckChemi

Name of the file to check Coulomb Intra interactions.

Definition at line 89 of file global.h.

◆ cFileNameCheckCoulombIntra

const char* cFileNameCheckCoulombIntra

Name of the file to output sz calculation time

Definition at line 88 of file global.h.

◆ cFileNameCheckHund

const char* cFileNameCheckHund

Name of the file to check Inter U.

Definition at line 91 of file global.h.

◆ cFileNameCheckInterAll

const char* cFileNameCheckInterAll

>Name of the file to check Hund interactions.

Definition at line 92 of file global.h.

◆ cFileNameCheckInterU

const char* cFileNameCheckInterU

Name of the file to check Chemical potentials.

Definition at line 90 of file global.h.

◆ cFileNameCheckMemory

const char* cFileNameCheckMemory

Name of the file to check InterAll interactions.

Definition at line 93 of file global.h.

◆ cFileNameCheckSdim

const char* cFileNameCheckSdim

Name of the file to check memory.

Definition at line 94 of file global.h.

◆ cFileNameEigenvalue_Lanczos

const char* cFileNameEigenvalue_Lanczos

Name of the file to output energies.

Definition at line 102 of file global.h.

◆ cFileNameEnergy_CG

const char* cFileNameEnergy_CG

Name of the file to output eigen values.

Definition at line 103 of file global.h.

◆ cFileNameEnergy_Lanczos

const char* cFileNameEnergy_Lanczos

Name of the file to output Lanczos step.

Definition at line 101 of file global.h.

◆ cFileNameErrorSz

const char* cFileNameErrorSz

Name of the file to output the excited vector for spectrum mode.

Definition at line 145 of file global.h.

◆ cFileNameFlct

const char* cFileNameFlct

Name of the Norm file.

Definition at line 131 of file global.h.

◆ cFileNameFlctRand

const char* cFileNameFlctRand

Name of the NormRand file.

Definition at line 119 of file global.h.

◆ cFileNameInputEigen

const char* cFileNameInputEigen

Name of the file to output eigen vector.

Definition at line 111 of file global.h.

◆ cFileNameInputVector

const char* cFileNameInputVector

Name of the file to output TPQ vector.

Definition at line 125 of file global.h.

◆ cFileNameLanczosStep

const char* cFileNameLanczosStep

Name of the file to output warning of transfer integrals.

Definition at line 100 of file global.h.

◆ cFileNameListModel

const char* cFileNameListModel

Name of the file to output time for getting eigen vector by CG method.

Definition at line 109 of file global.h.

◆ cFileNameNorm

const char* cFileNameNorm

Name of the SS file.

Definition at line 130 of file global.h.

◆ cFileNameNormRand

const char* cFileNameNormRand

Name of the Time_TPQ_Step file.

Definition at line 118 of file global.h.

◆ cFileNameOutputEigen

const char* cFileNameOutputEigen

Name of the file to output list.

Definition at line 110 of file global.h.

◆ cFileNameOutputExcitedVec

const char* cFileNameOutputExcitedVec

Name of the file to output restart vector for spectrum mode.

Definition at line 142 of file global.h.

◆ cFileNameOutputRestartVec

const char* cFileNameOutputRestartVec

Name of the file to output Hamiltonian for Full diagonalization.

Definition at line 141 of file global.h.

◆ cFileNameOutputVector

const char* cFileNameOutputVector

Name of the file to output two-body Green's functions for Time Evolution calculation.

Definition at line 124 of file global.h.

◆ cFileNamePhys_FullDiag

const char* cFileNamePhys_FullDiag

Name of the Flct file.

Definition at line 134 of file global.h.

◆ cFileNamePhys_FullDiag_GC

const char* cFileNamePhys_FullDiag_GC

Name of the file to output physical values for canonical ensemble.

Definition at line 135 of file global.h.

◆ cFileNamePhys_FullDiag_Ham

const char* cFileNamePhys_FullDiag_Ham

Name of the file to output two-body Green's functions for Full diagonalization.

Definition at line 138 of file global.h.

◆ cFileNameSS

const char* cFileNameSS

Name of the Time_TE_Step file.

Definition at line 129 of file global.h.

◆ cFileNameSSRand

const char* cFileNameSSRand

Name of the file to output tridiagonal matrix components.

Definition at line 116 of file global.h.

◆ cFileNameSzTimeKeep

const char* cFileNameSzTimeKeep

Name of the file to output calculation processing time

Definition at line 85 of file global.h.

◆ cFileNameTEStep

const char* cFileNameTEStep

Name of the file to input TPQ vector.

Definition at line 128 of file global.h.

◆ cFileNameTimeEV_CG

const char* cFileNameTimeEV_CG

Name of the file to output Two-Body Green's functions obtained by CG method.

Definition at line 108 of file global.h.

◆ cFileNameTimeKeep

const char* cFileNameTimeKeep

Path to output results

Definition at line 84 of file global.h.

◆ cFileNameTPQStep

const char* cFileNameTPQStep

Name of the SS_rand file.

Definition at line 117 of file global.h.

◆ cFileNameTridiagonalMatrixComponents

const char* cFileNameTridiagonalMatrixComponents

Name of the file to output dynamical Green's function.

Definition at line 113 of file global.h.

◆ cFileNameWarningOnTransfer

const char* cFileNameWarningOnTransfer

Name of the file to check dimension.

Definition at line 97 of file global.h.

◆ cParentOutputFolder

const char* cParentOutputFolder

eigen vectors

Definition at line 81 of file global.h.

◆ eps

double eps

Timer when the procedure starts.

Definition at line 153 of file global.h.

Referenced by CG_EigenVector(), GetSpectrumByTridiagonalMatrixComponents(), and SetConvergenceFactor().

◆ eps_CG

double eps_CG

epsilon used in getting spectrum by Lanczos method and Lanczos eigenvector by CG method.

Definition at line 154 of file global.h.

Referenced by CG_EigenVector(), and SetConvergenceFactor().

◆ eps_CheckImag0

double eps_CheckImag0

epsilon for energy

Definition at line 157 of file global.h.

Referenced by CheckInterAllHermite(), CheckTETransferHermite(), CheckTransferHermite(), and ReadDefFileIdxPara().

◆ eps_Energy

double eps_Energy

epsilon used in LOBPCG, BiCG and Lanczos eigen value.

Definition at line 156 of file global.h.

Referenced by CalcByLanczos(), GetSpectrumByTridiagonalMatrixComponents(), PowerLanczos(), and SetConvergenceFactor().

◆ eps_Lanczos

double eps_Lanczos

epsilon used in getting Lanczos eigenvector by CG method.

Definition at line 155 of file global.h.

Referenced by Lanczos_EigenValue(), ReadTMComponents_BiCG(), and SetConvergenceFactor().

◆ global_1st_norm

double global_1st_norm

1-st norm for TPQ calculation

Definition at line 68 of file global.h.

Referenced by CalcByTPQ().

◆ global_norm

double global_norm

norm before normalization for TPQ calculation

Definition at line 67 of file global.h.

Referenced by CalcByTEM(), CalcByTPQ(), Multiply(), and MultiplyForTEM().

◆ Ham

double complex** Ham

Definition at line 73 of file global.h.

Referenced by inputHam(), lapack_diag(), makeHam(), outputHam(), and setmem_large().

◆ initial_mode

int initial_mode

mode to get initial state (0: use same random generator for MPI, 1: use each random generator for MPI)

Definition at line 60 of file global.h.

Referenced by CalcByLanczos(), CalcByLOBPCG(), Initialize_wave(), Lanczos_EigenVector(), and SetInitialVector().

◆ L_vec

double complex** L_vec

Hamiltonian for full diagonalization.

Definition at line 74 of file global.h.

Referenced by CalcByLOBPCG(), CalcSpectrumByFullDiag(), lapack_diag(), LOBPCG_Main(), phys(), and setmem_large().

◆ LargeValue

double LargeValue

constant value l for TPQ calculation.

Definition at line 64 of file global.h.

Referenced by CalcByTPQ(), Multiply(), ReadDefFileNInt(), and SetOmega().

◆ list_1

◆ list_1_org

long unsigned int* list_1_org

list of getting real-space configuration for canonical state before excitation

Definition at line 53 of file global.h.

Referenced by CalcSpectrum(), GetPairExcitedStateGeneralSpin(), GetPairExcitedStateHalfSpin(), GetPairExcitedStateHubbard(), GetSingleExcitedStateHubbard(), and MakeExcitedList().

◆ list_1buf

◆ list_1buf_org

long unsigned int* list_1buf_org

list of getting real-space configuration for canonical state before excitation across processes

Definition at line 54 of file global.h.

Referenced by GetPairExcitedStateGeneralSpin(), GetPairExcitedStateHalfSpin(), GetPairExcitedStateHubbard(), GetSingleExcitedStateHubbard(), and MakeExcitedList().

◆ list_2_1

◆ list_2_1_org

long unsigned int* list_2_1_org

list to get index of list_1_org

Definition at line 55 of file global.h.

Referenced by CalcSpectrum(), and MakeExcitedList().

◆ list_2_2

◆ list_2_2_org

long unsigned int* list_2_2_org

list to get index of list_1_org

Definition at line 56 of file global.h.

Referenced by CalcSpectrum(), and MakeExcitedList().

◆ list_Diagonal

double* list_Diagonal

◆ myrank

int myrank

Process ID, defined in InitializeMPI()

Definition at line 163 of file global.h.

Referenced by CalcByLanczos(), CalcByLOBPCG(), CalcByTEM(), CalcByTPQ(), CalcSpectrum(), CalcSpectrumByBiCG(), CalcSpectrumByTPQ(), CG_EigenVector(), CheckMPI(), CheckMPI_Summary(), expec_cisajs_Hubbard(), expec_cisajs_HubbardGC(), expec_cisajs_SpinGeneral(), expec_cisajs_SpinHalf(), expec_cisajscktalt_SpinHalf(), expec_energy_flct_GeneralSpin(), expec_energy_flct_GeneralSpinGC(), expec_energy_flct_HalfSpin(), expec_energy_flct_HalfSpinGC(), expec_energy_flct_Hubbard(), expec_energy_flct_HubbardGC(), fgetsMPI(), FinalizeMPI(), fopenMPI(), GC_Ajt(), GC_Cis(), GetPairExcitedStateGeneralSpin(), GetPairExcitedStateHalfSpin(), GetPairExcitedStateHubbard(), GetPairExcitedStateHubbardGC(), Initialize_wave(), InitializeMPI(), InitShadowRes(), Lanczos_EigenVector(), lapack_diag(), main(), MakeExcitedList(), Output_restart(), OutputLanczosVector(), phys(), ReadInitialVector(), SetDiagonalChemi(), SetDiagonalCoulombInter(), SetDiagonalCoulombIntra(), SetDiagonalHund(), SetDiagonalInterAll(), SetDiagonalTEChemi(), SetDiagonalTEInterAll(), SetDiagonalTETransfer(), SetInitialVector(), totalspin_Spin(), totalspin_SpinGC(), totalSz_HubbardGC(), totalSz_SpinGC(), X_Ajt(), X_Ajt_MPI(), X_child_CisAis_Hubbard_MPI(), X_child_CisAisCjtAjt_Hubbard_MPI(), X_child_CisAisCjuAju_GeneralSpin_MPIdouble(), X_child_CisAisCjuAju_GeneralSpin_MPIsingle(), X_child_CisAit_GeneralSpin_MPIdouble(), X_child_CisAit_spin_MPIdouble(), X_child_CisAitCjuAjv_GeneralSpin_MPIdouble(), X_child_CisAitCjuAjv_GeneralSpin_MPIsingle(), X_child_CisAjt_MPIdouble(), X_child_CisAjt_MPIsingle(), X_child_CisAjtCkuAku_Hubbard_MPI(), X_child_CisAjtCkuAlv_Hubbard_MPI(), X_child_general_hopp_MPIdouble(), X_child_general_hopp_MPIsingle(), X_child_general_int_spin_MPIdouble(), X_child_general_int_spin_MPIsingle(), X_child_general_int_spin_TotalS_MPIdouble(), X_Cis(), X_Cis_MPI(), X_GC_Ajt_MPI(), X_GC_child_AisCis_GeneralSpin_MPIdouble(), X_GC_child_AisCis_spin_MPIdouble(), X_GC_child_CisAis_GeneralSpin_MPIdouble(), X_GC_child_CisAis_Hubbard_MPI(), X_GC_child_CisAis_spin_MPIdouble(), X_GC_child_CisAisCjtAjt_Hubbard_MPI(), X_GC_child_CisAisCjuAju_GeneralSpin_MPIdouble(), X_GC_child_CisAisCjuAju_GeneralSpin_MPIsingle(), X_GC_child_CisAisCjuAju_spin_MPIdouble(), X_GC_child_CisAisCjuAju_spin_MPIsingle(), X_GC_child_CisAisCjuAjv_GeneralSpin_MPIdouble(), X_GC_child_CisAisCjuAjv_GeneralSpin_MPIsingle(), X_GC_child_CisAisCjuAjv_spin_MPIdouble(), X_GC_child_CisAisCjuAjv_spin_MPIsingle(), X_GC_child_CisAit_GeneralSpin_MPIdouble(), X_GC_child_CisAit_spin_MPIdouble(), X_GC_child_CisAitCiuAiv_spin_MPIdouble(), X_GC_child_CisAitCiuAiv_spin_MPIsingle(), X_GC_child_CisAitCjuAju_GeneralSpin_MPIdouble(), X_GC_child_CisAitCjuAju_GeneralSpin_MPIsingle(), X_GC_child_CisAitCjuAju_spin_MPIdouble(), X_GC_child_CisAitCjuAju_spin_MPIsingle(), X_GC_child_CisAitCjuAjv_GeneralSpin_MPIdouble(), X_GC_child_CisAitCjuAjv_GeneralSpin_MPIsingle(), X_GC_child_CisAjtCkuAku_Hubbard_MPI(), X_GC_child_CisAjtCkuAlv_Hubbard_MPI(), X_GC_child_general_hopp_MPIdouble(), X_GC_child_general_hopp_MPIsingle(), and X_GC_Cis_MPI().

◆ nproc

int nproc

Number of processors, defined in InitializeMPI()

epsilon for checking values of one-body and two-body interactions.

Definition at line 162 of file global.h.

Referenced by CheckMPI(), CheckMPI_Summary(), child_general_int_spin_MPIBoost(), Initialize_wave(), InitializeMPI(), Lanczos_EigenVector(), lapack_diag(), main(), and SetInitialVector().

◆ nthreads

int nthreads

Number of Threads, defined in InitializeMPI()

Definition at line 164 of file global.h.

Referenced by CG_EigenVector(), Initialize_wave(), InitializeMPI(), InitShadowRes(), Lanczos_EigenVector(), LOBPCG_Main(), and SetInitialVector().

◆ NumAve

int NumAve

Average number for TPQ calculation

Definition at line 65 of file global.h.

Referenced by CalcByTPQ(), main(), and ReadDefFileNInt().

◆ stdoutMPI

FILE* stdoutMPI

File pointer to the standard output defined in InitializeMPI()

Definition at line 165 of file global.h.

Referenced by CalcByFullDiag(), CalcByLanczos(), CalcByLOBPCG(), CalcByTEM(), CalcByTPQ(), CalcSpectrum(), CalcSpectrumByBiCG(), CalcSpectrumByTPQ(), CG_EigenVector(), check(), CheckFormatForKondoInt(), CheckFormatForSpinInt(), CheckGeneralSpinIndexForInterAll(), CheckInterAllHermite(), CheckMPI(), CheckMPI_Summary(), CheckSpinIndexForTrans(), CheckTETransferHermite(), CheckTotal2Sz(), CheckTransferHermite(), childfopenMPI(), diagonalcalc(), expec_cisajs(), expec_cisajscktaltdc(), expec_energy_flct(), FinalizeMPI(), GetDiagonalInterAll(), GetFileName(), GetKWWithIdx(), GetPairExcitedStateGeneralSpin(), GetPairExcitedStateGeneralSpinGC(), GetPairExcitedStateHalfSpin(), GetPairExcitedStateHalfSpinGC(), GetSpectrumByTridiagonalMatrixComponents(), Initialize_wave(), InitializeMPI(), inputHam(), JudgeDefType(), Lanczos_EigenValue(), Lanczos_EigenVector(), Lanczos_GetTridiagonalMatrixComponents(), lapack_diag(), LOBPCG_Main(), main(), MakeExcitedList(), output(), output_list(), Output_restart(), OutputLanczosVector(), phys(), PowerLanczos(), ReadcalcmodFile(), ReadDefFileError(), ReadDefFileIdxPara(), ReadDefFileNInt(), ReadInitialVector(), ReadTMComponents_BiCG(), SetDiagonalChemi(), SetDiagonalCoulombInter(), SetDiagonalCoulombIntra(), SetDiagonalHund(), SetDiagonalInterAll(), SetDiagonalTEChemi(), SetDiagonalTEInterAll(), SetDiagonalTETransfer(), SetInitialVector(), setmem_large(), SetOmega(), splash(), sz(), and vec12().

◆ step_i

int step_i

step for TPQ calculation

Definition at line 66 of file global.h.

Referenced by CalcByLanczos(), CalcByLOBPCG(), CalcByTEM(), CalcByTPQ(), expec_energy_flct(), and mltply().

◆ step_spin

int step_spin

output step for TE calculation.

Definition at line 69 of file global.h.

Referenced by CalcByTEM(), and CalcByTPQ().

◆ Timer

double* Timer

Name of the file to output Error message for Sz calculation.

Definition at line 148 of file global.h.

Referenced by InitTimer(), OutputTimer(), StampTime(), and StopTimer().

◆ TimerStart

double* TimerStart

The procedure execution time.

Definition at line 149 of file global.h.

Referenced by InitTimer(), OutputTimer(), StartTimer(), and StopTimer().

◆ v0

◆ v1

◆ v1buf

◆ v1Org

double complex* v1Org

An input vector to calculate spectrum function.

Definition at line 40 of file global.h.

Referenced by CalcSpectrum().

◆ v2

double complex* v2

A temporary vector for time evolution calculation, \( v2 = H*v1 = H^coef |psi(t)>\).

Definition at line 36 of file global.h.

Referenced by MultiplyForTEM(), and setmem_large().

◆ vec

double complex** vec

Eigen vectors.

Definition at line 45 of file global.h.

Referenced by GetCalcSpectrumTPQ(), Lanczos_EigenVector(), ReadTMComponents(), setmem_large(), StdFace_PrintXSF(), and vec12().

◆ vg

double complex* vg

A vector used in the CG mode.

Definition at line 41 of file global.h.

Referenced by CalcSpectrum(), CalcSpectrumByFullDiag(), CG_EigenVector(), Lanczos_EigenVector(), LOBPCG_Main(), PowerLanczos(), and setmem_large().