HPhi++  3.1.0
Functions | Variables
global.cpp File Reference
#include "global.hpp"

Go to the source code of this file.

Functions

std::complex< double > I (0.0, 1.0)
 

Variables

std::complex< double > ** v0
 
std::complex< double > ** v1
 
std::complex< double > ** v1buf
 
double * list_Diagonal
 
long int * list_1
 
long int * list_1buf
 
long int * list_2_1
 
long int * list_2_2
 
long int * list_1_org
 
long int * list_1buf_org
 
long int * list_2_1_org
 
long 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 * 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...
 

Function Documentation

◆ I()

std::complex<double> I ( 0.  0,
1.  0 
)

Referenced by CalcSpectrum(), expec_cisajscktalt_HubbardGC(), Initialize_wave(), inputHam(), InputInterAllInfo(), MultiplyForTEM(), ReadDefFileIdxPara(), ReadDefFileNInt(), and TransferWithPeierls().

Variable Documentation

◆ eps

double eps

Timer when the procedure starts.

Definition at line 63 of file global.cpp.

Referenced by SetConvergenceFactor().

◆ eps_CG

double eps_CG

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

Definition at line 64 of file global.cpp.

Referenced by SetConvergenceFactor().

◆ eps_CheckImag0

double eps_CheckImag0

epsilon for energy

Definition at line 67 of file global.cpp.

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

◆ eps_Energy

double eps_Energy

epsilon used in LOBPCG, BiCG and Lanczos eigen value.

Definition at line 66 of file global.cpp.

Referenced by SetConvergenceFactor().

◆ eps_Lanczos

double eps_Lanczos

epsilon used in getting Lanczos eigenvector by CG method.

Definition at line 65 of file global.cpp.

Referenced by CalcSpectrumByBiCG(), and SetConvergenceFactor().

◆ global_1st_norm

double* global_1st_norm

1-st norm for TPQ calculation

Definition at line 46 of file global.cpp.

Referenced by CalcByTPQ().

◆ global_norm

double* global_norm

norm before normalization for TPQ calculation

Definition at line 45 of file global.cpp.

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

◆ 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 38 of file global.cpp.

Referenced by CalcByLOBPCG(), and Initialize_wave().

◆ LargeValue

double LargeValue

constant value l for TPQ calculation.

Definition at line 42 of file global.cpp.

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

◆ list_1

long int* list_1

list of getting real-space configuration for canonical state

Definition at line 25 of file global.cpp.

Referenced by CalcSpectrum(), child_CisAisCisAis_element(), child_CisAisCjtAku_element(), child_CisAjtCkuAku_element(), child_CisAjtCkuAlv_element(), child_exchange_element(), child_exchange_spin_element(), child_pairhopp_element(), CisAjt(), expec_cisajs_Hubbard(), expec_cisajs_SpinGeneral(), expec_cisajscktalt_SpinGeneral(), expec_energy_flct_GeneralSpin(), expec_energy_flct_HalfSpin(), expec_energy_flct_Hubbard(), GetPairExcitedStateGeneralSpin(), GetPairExcitedStateHubbard(), main(), MakeExcitedList(), mltplyGeneralSpin(), output_list(), Read_sz(), SetDiagonalChemi(), SetDiagonalCoulombInter(), SetDiagonalCoulombIntra(), SetDiagonalHund(), SetDiagonalInterAll(), SetDiagonalTEChemi(), SetDiagonalTEInterAll(), SetDiagonalTETransfer(), setmem_large(), totalspin_Hubbard(), totalspin_Spin(), X_child_CisAis_Hubbard_MPI(), X_child_CisAisCjtAjt_Hubbard_MPI(), X_child_CisAisCjuAju_GeneralSpin_MPIsingle(), X_child_CisAitCjuAjv_GeneralSpin_MPIdouble(), X_child_CisAitCjuAjv_GeneralSpin_MPIsingle(), X_child_CisAjtCkuAku_Hubbard_MPI(), X_child_CisAjtCkuAlv_Hubbard_MPI(), X_child_exchange_spin_element(), 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(), and X_Spin_CisAis().

◆ list_1_org

long int* list_1_org

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

Definition at line 31 of file global.cpp.

Referenced by GetPairExcitedStateGeneralSpin(), GetPairExcitedStateHubbard(), GetSingleExcitedStateHubbard(), MakeExcitedList(), X_Ajt_MPI(), X_child_CisAit_GeneralSpin_MPIdouble(), X_child_CisAit_spin_MPIdouble(), X_child_CisAjt_MPIdouble(), X_child_CisAjt_MPIsingle(), X_Cis_MPI(), and X_Spin_CisAit().

◆ list_1buf

long int* list_1buf

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

Definition at line 26 of file global.cpp.

Referenced by CalcSpectrum(), setmem_large(), X_child_CisAitCjuAjv_GeneralSpin_MPIdouble(), X_child_CisAitCjuAjv_GeneralSpin_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(), and X_child_general_int_spin_TotalS_MPIdouble().

◆ list_1buf_org

long int* list_1buf_org

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

Definition at line 32 of file global.cpp.

Referenced by MakeExcitedList(), X_Ajt_MPI(), X_child_CisAit_GeneralSpin_MPIdouble(), X_child_CisAit_spin_MPIdouble(), X_child_CisAjt_MPIdouble(), X_child_CisAjt_MPIsingle(), and X_Cis_MPI().

◆ list_2_1

long int* list_2_1

list to get index of list_1

Definition at line 27 of file global.cpp.

Referenced by CalcSpectrum(), child_exchange_element(), child_exchange_spin_element(), child_pairhopp_element(), CisAjt(), ConvertToList1GeneralSpin(), GetSingleExcitedStateHubbard(), main(), MakeExcitedList(), Read_sz(), setmem_large(), totalspin_Hubbard(), totalspin_Spin(), X_Ajt_MPI(), X_child_CisAit_spin_MPIdouble(), X_child_CisAjt_MPIdouble(), X_child_CisAjt_MPIsingle(), X_child_CisAjtCkuAku_Hubbard_MPI(), X_child_CisAjtCkuAlv_Hubbard_MPI(), X_child_exchange_spin_element(), 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_MPI(), X_CisAjt(), and X_Spin_CisAit().

◆ list_2_1_org

long int* list_2_1_org

list to get index of list_1_org

Definition at line 33 of file global.cpp.

Referenced by MakeExcitedList().

◆ list_2_2

long int* list_2_2

list to get index of list_1

Definition at line 28 of file global.cpp.

Referenced by CalcSpectrum(), child_exchange_element(), child_exchange_spin_element(), child_pairhopp_element(), CisAjt(), ConvertToList1GeneralSpin(), GetSingleExcitedStateHubbard(), main(), MakeExcitedList(), Read_sz(), setmem_large(), totalspin_Hubbard(), totalspin_Spin(), X_Ajt_MPI(), X_child_CisAit_spin_MPIdouble(), X_child_CisAjt_MPIdouble(), X_child_CisAjt_MPIsingle(), X_child_CisAjtCkuAku_Hubbard_MPI(), X_child_CisAjtCkuAlv_Hubbard_MPI(), X_child_exchange_spin_element(), 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_MPI(), X_CisAjt(), and X_Spin_CisAit().

◆ list_2_2_org

long int* list_2_2_org

list to get index of list_1_org

Definition at line 34 of file global.cpp.

Referenced by MakeExcitedList().

◆ list_Diagonal

double* list_Diagonal

list for diagonal components.

Definition at line 24 of file global.cpp.

Referenced by CalcSpectrum(), diagonalcalc(), LOBPCG_Main(), mltply(), SetDiagonalChemi(), SetDiagonalCoulombInter(), SetDiagonalCoulombIntra(), SetDiagonalHund(), SetDiagonalInterAll(), and setmem_large().

◆ myrank

int myrank

Process ID, defined in InitializeMPI()

Definition at line 73 of file global.cpp.

Referenced by CalcByLOBPCG(), CalcByTEM(), CalcByTPQ(), CalcSpectrum(), CalcSpectrumByBiCG(), 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(), lapack_diag(), main(), MakeExcitedList(), Output_restart(), phys(), SetDiagonalChemi(), SetDiagonalCoulombInter(), SetDiagonalCoulombIntra(), SetDiagonalHund(), SetDiagonalInterAll(), SetDiagonalTEChemi(), SetDiagonalTEInterAll(), SetDiagonalTETransfer(), totalspin_Spin(), totalspin_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 72 of file global.cpp.

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

◆ nthreads

int nthreads

Number of Threads, defined in InitializeMPI()

Definition at line 74 of file global.cpp.

Referenced by expec_energy_flct_GeneralSpin(), expec_energy_flct_GeneralSpinGC(), expec_energy_flct_HalfSpin(), expec_energy_flct_HalfSpinGC(), expec_energy_flct_Hubbard(), expec_energy_flct_HubbardGC(), Initialize_wave(), InitializeMPI(), and VecProdMPI().

◆ NumAve

int NumAve

Average number for TPQ calculation

Definition at line 43 of file global.cpp.

Referenced by CalcByTPQ(), check(), main(), Multiply(), ReadDefFileNInt(), and setmem_large().

◆ stdoutMPI

FILE* stdoutMPI

File pointer to the standard output defined in InitializeMPI()

Definition at line 75 of file global.cpp.

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

◆ step_i

int step_i

step for TPQ calculation

Definition at line 44 of file global.cpp.

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

◆ step_spin

int step_spin

output step for TE calculation.

Definition at line 47 of file global.cpp.

Referenced by CalcByTEM(), and CalcByTPQ().

◆ Timer

double* Timer

Definition at line 58 of file global.cpp.

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

◆ TimerStart

double* TimerStart

The procedure execution time.

Definition at line 59 of file global.cpp.

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

◆ v0

std::complex<double>** v0

A vector after multiplying Hamiltonian, \( v_0 = H v_1\).

Definition at line 20 of file global.cpp.

Referenced by CalcByFullDiag(), CalcByTEM(), CalcByTPQ(), CalcSpectrum(), CalcSpectrumByFullDiag(), inputHam(), lapack_diag(), LOBPCG_Main(), Multiply(), MultiplyForTEM(), outputHam(), phys(), and setmem_large().

◆ v1

std::complex<double>** v1

A vector before multiplying Hamiltonian, \( v_0 = H v_1\).

Definition at line 21 of file global.cpp.

Referenced by CalcByFullDiag(), CalcByLOBPCG(), CalcByTEM(), CalcByTPQ(), CalcSpectrum(), CalcSpectrumByFullDiag(), lapack_diag(), LOBPCG_Main(), Multiply(), MultiplyForTEM(), phys(), and setmem_large().

◆ v1buf

std::complex<double>** v1buf

A temporary vector for MPI.

Definition at line 22 of file global.cpp.

Referenced by CalcSpectrum(), LOBPCG_Main(), MakeExcitedList(), setmem_large(), X_Ajt_MPI(), 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_MPI(), X_GC_Ajt_MPI(), 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_spin_MPIdouble(), 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().