Definision of system (Hamiltonian) etc. More...

#include <struct.hpp>

Public Attributes
char *	CDataFileHead
	Read from Calcmod in readdef.h. Header of output file such as Green's function. More...

char *	CParaFileHead
	Read from Calcmod in readdef.h. It is not used. Just for the compatibility to mVMC. More...

int	nvec = 0
	Read from Calcmod in readdef.h. More...

int	k_exct = 0
	Read from Calcmod in readdef.h. More...

int	LanczosEps = 0
	log(10 base) of the convergence threshold. Read from Calcmod in readdef.h More...

int	LanczosTarget = 0
	Which eigenstate is used to check convergence. Read from Calcmod in readdef.h. More...

int	read_hacker = 0
	Whether use an efficient method (=1) in sz.c or not (=0) More...

int	READ = 0
	It is ALWAYS 0 ??? More...

int	WRITE = 0
	It is ALWAYS 0 ??? More...

int	Nsite = 0
	Number of sites in the INTRA process region. More...

int	NsiteMPI = 0
	Total number of sites, differ from DefineList::Nsite. More...

int	Nup = 0
	Number of spin-up electrons in this process. More...

int	Ndown = 0
	Number of spin-down electrons in this process. More...

int	NupMPI = 0
	Total number of spin-up electrons across processes. Deffer from DefineList::Nup. Read from modpara in readdef.h. More...

int	NdownMPI = 0
	Total number of spin-down electrons across processes. Deffer from DefineList::Ndown. Read from modpara in readdef.h. More...

int	NupOrg = 0
	Number of spin-up electrons before exitation. Used only in the spectrum calculation. Read from modpara in readdef.h. More...

int	NdownOrg = 0
	Number of spin-down electrons before exitation. Used only in the spectrum calculation. Read from modpara in readdef.h. More...

int	Total2Sz = 0
	Total \(2S_z\) in this process. More...

int	Total2SzMPI = 0
	Total \(2S_z\) across processes. More...

int	Ne = 0
	Number of electrons in this process. More...

int	NeMPI = 0
	Total number of electrons across process. Differ from DefineList::Ne . More...

int	Lanczos_max = 0
	Maximum number of iterations. More...

int	Lanczos_restart = 0
	Number of iterations performed in the restart computation. More...

long int	initial_iv = 0
	Seed of random number for initial guesss of wavefunctions. More...

int	istep = 0
	Index of TPQ step ??? More...

int	irand = 0
	Input keyword TargetTPQRand ??? More...

int	St = 0
	0 or 1, but it affects nothing. More...

int *	LocSpn
	[DefineList::NLocSpn] Flag (and size) of the local spin. malloc in setmem_def(). More...

int	NLocSpn = 0
	Number of local spins. More...

int	NCond = 0
	Number of itinerant electrons. More...

int	iFlgGeneralSpin = 0
	Flag for the general (Sz/=1/2) spin. More...

int	iFlgSzConserved = 0
	Flag whether Sz is conserved. More...

int	fidx = 0
	Always 0, it is not used ??? More...

long int *	Tpow
	[2 * DefineList::NsiteMPI] \(2^n\) malloc in setmem_def(). More...

long int *	OrgTpow
	[2 * DefineList::NsiteMPI] \(2^n\) malloc in setmem_def(). More...

long int *	SiteToBit
	[DefineList::NsiteMPI] Similar to DefineList::Tpow. For general spin. More...

int	EDNChemi = 0
	Number of on-site term. More...

int *	EDChemi
	[DefineList::Nsite] Chemical potential. malloc in setmem_def(). More...

int *	EDSpinChemi
	[DefineList::Nsite] More...

double *	EDParaChemi
	[DefineList::Nsite] On-site potential parameter. malloc in setmem_def(). More...

int	NTransfer = 0
	Number of transfer integrals obtained by a def file. More...

int	EDNTransfer = 0
	Number of transfer integrals for calculation. More...

int **	GeneralTransfer
	Index of transfer integrals obtained by a def file. malloc in setmem_def(). Data Format [DefineList::NTransfer][4]: 0->site number i, 1-> spin index on i, 2-> site number j, 3-> spin index on j. More...

int **	EDGeneralTransfer
	Index of transfer integrals for calculation. malloc in setmem_def(). Data Format [DefineList::NTransfer][4]: 0->site number i, 1-> spin index on i, 2-> site number j, 3-> spin index on j. More...

std::complex< double > *	ParaGeneralTransfer
	Value of general transfer integrals by a def file. malloc in setmem_def(). Data Format [DefineList::NTransfer]. More...

std::complex< double > *	EDParaGeneralTransfer
	Value of general transfer integrals by a def file. malloc in setmem_def(). Data Format [DefineList::NTransfer]. More...

int	NCoulombIntra = 0

int **	CoulombIntra

double *	ParaCoulombIntra

int	NCoulombInter = 0
	Number of off-site Coulomb interaction. More...

int **	CoulombInter

double *	ParaCoulombInter
	[DefineList::NCoulombInter]Coupling constant of off-site Coulomb interaction. malloc in setmem_def(). More...

int	NHundCoupling = 0
	Number of Hund coupling. More...

int **	HundCoupling
	[DefineList::NHundCoupling][2] Index of Hund coupling. malloc in setmem_def(). More...

double *	ParaHundCoupling
	[DefineList::NHundCoupling] Hund coupling constant. malloc in setmem_def(). More...

int	NPairHopping = 0
	Number of pair-hopping term. More...

int **	PairHopping
	[DefineList::NPairHopping][2] Index of pair-hopping. malloc in setmem_def(). More...

double *	ParaPairHopping
	[DefineList::NPairHopping] Coupling constant of pair-hopping term. malloc in setmem_def(). More...

int	NExchangeCoupling = 0
	Number of exchange term. More...

int **	ExchangeCoupling
	[DefineList::NExchangeCoupling][2] Index of exchange term. malloc in setmem_def(). More...

double *	ParaExchangeCoupling
	[DefineList::NExchangeCoupling] Coupling constant of exchange term. malloc in setmem_def(). More...

int	NIsingCoupling = 0
	Number of Ising term. More...

int	NPairLiftCoupling = 0
	Number of pair-lift term. More...

int **	PairLiftCoupling
	[DefineList::NPairHopping][2] Index of pair-lift term. malloc in setmem_def(). More...

double *	ParaPairLiftCoupling
	[DefineList::NPairHopping] Coupling constant of pair-lift term. malloc in setmem_def(). More...

int **	InterAll
	[DefineList::NinterAll][8] Interacted quartet More...

int **	InterAll_OffDiagonal
	[DefineList::NinterAll_OffDiagonal][8] Interacted quartet More...

int **	InterAll_Diagonal
	[DefineList::NinterAll_Diagonal][4] Interacted quartet More...

int	NInterAll = 0
	Total Number of Interacted quartet. More...

int	NInterAll_Diagonal = 0
	Number of interall term (diagonal) More...

int	NInterAll_OffDiagonal = 0
	Number of interall term (off-diagonal) More...

std::complex< double > *	ParaInterAll
	[DefineList::NInterAll] Coupling constant of inter-all term. malloc in setmem_def(). More...

double *	ParaInterAll_Diagonal
	[DefineList::NInterAll_Diagonal] Coupling constant of diagonal inter-all term. malloc in setmem_def(). More...

std::complex< double > *	ParaInterAll_OffDiagonal
	[DefineList::NInterAll_OffDiagonal] Coupling constant of off-diagonal inter-all term. malloc in setmem_def(). More...

int **	CisAjt
	[DefineList::NCisAjt][4] Indices of one-body correlation function. malloc in setmem_def(). More...

int	NCisAjt = 0
	Number of indices of two-body correlation function. More...

int **	CisAjtCkuAlvDC
	[DefineList::NCisAjtCkuAlvDC][4] Indices of two-body correlation function. malloc in setmem_def(). More...

int	NCisAjtCkuAlvDC = 0
	Number of indices of two-body correlation function. More...

int ***	SingleExcitationOperator
	[DefineList::NSingleExcitationOperator][3] Indices of single excitaion operator for spectrum. malloc in setmem_def(). More...

int	NNSingleExcitationOperator = 0
	Number of single excitaion operator for spectrum. More...

int *	NSingleExcitationOperator
	Number of single excitaion operator for spectrum. More...

std::complex< double > **	ParaSingleExcitationOperator
	[DefineList::NSingleExcitationOperator] Coefficient of single excitaion operator for spectrum. malloc in setmem_def(). More...

int ***	PairExcitationOperator
	[DefineList::NPairExcitationOperator][5] Indices of pair excitaion operator for spectrum. malloc in setmem_def(). More...

int	NNPairExcitationOperator = 0
	Number of pair excitaion operator for spectrum. More...

int *	NPairExcitationOperator
	Number of pair excitaion operator for spectrum. More...

std::complex< double > **	ParaPairExcitationOperator
	[DefineList::NPairExcitationOperator] Coefficient of pair excitaion operator for spectrum. malloc in setmem_def(). More...

int	iCalcType = 0
	Switch for calculation type. 0:Lanczos, 1:TPQCalc, 2:FullDiag. More...

int	iCalcEigenVec = 0
	Switch for method to calculate eigenvectors. 0:Lanczos+CG, 1: Lanczos. default value is set as 0 in readdef.c. More...

int	iInitialVecType = 0
	Switch for type of inital vectors. 0:complex type, 1: real type. default value is set as 0 in readdef.c. More...

int	iFlgFiniteTemperature = 0
	??? More...

int	iCalcModel = 0
	Switch for model. 0:Hubbard, 1:Spin, 2:Kondo, 3:HubbardGC, 4:SpinGC, 5:KondoGC, 6:HubbardNConserved. More...

int	iOutputMode = 0
	Switch for output mode. 0: OneBodyG and TwoBodyG. 1: OneBodyG and TwoBodyG and correlations for charge and spin. More...

int	iOutputEigenVec = 0
	ASwitch for outputting an eigenvector. 0: no output, 1:output. More...

int	iInputEigenVec = 0
	Switch for reading an eigenvector. 0: no input, 1:input. More...

int	iOutputHam = 0

int	iInputHam = 0

int	iOutputExVec = 0

std::complex< double >	dcOmegaMax
	Upper limit of the frequency for the spectrum. More...

std::complex< double >	dcOmegaMin
	Lower limit of the frequency for the spectrum. More...

std::complex< double >	dcOmegaOrg
	Origin limit of the frequency for the spectrum. More...

int	iNOmega = 0
	Number of frequencies for spectrum. More...

int	iFlgSpecOmegaMax = 0
	Whether DefineList::dcOmegaMax is input or not. More...

int	iFlgSpecOmegaMin = 0
	Whether DefineList::dcOmegaMin is input or not. More...

int	iFlgSpecOmegaOrg = 0
	Whether DefineList::dcOmegaOrg is input or not. More...

int	iFlgCalcSpec = 0
	Input parameter CalcSpec in teh CalcMod file. More...

int	iFlagListModified = 0
	When the Hilbert space of excited state differs from the original one. More...

int	iReStart = 0

int	iFlgMPI = 0
	MPI mode. More...

int	iNGPU = 0
	GPU mode ( only for FullDiag ) More...

int	iFlgScaLAPACK = 0
	ScaLAPACK mode ( only for FullDiag ) More...

struct ParamList	Param

int	NTETimeSteps = 0

double *	TETime

int	NLaser = 0

double *	ParaLaser

int	NTETransferMax = 0

int *	NTETransfer

int *	NTETransferDiagonal

int ***	TETransfer

int ***	TETransferDiagonal

std::complex< double > **	ParaTETransfer

double **	ParaTETransferDiagonal

int	NTEInterAllMax = 0

int *	NTEInterAll

int *	NTEInterAllOffDiagonal

int *	NTEInterAllDiagonal

int ***	TEInterAll

int ***	TEInterAllOffDiagonal

int ***	TEInterAllDiagonal

std::complex< double > **	ParaTEInterAll

std::complex< double > **	ParaTEInterAllOffDiagonal

double **	ParaTEInterAllDiagonal

int **	TEChemi

int *	NTEChemi

int **	SpinTEChemi

double **	ParaTEChemi

Detailed Description

Definision of system (Hamiltonian) etc.

Definition at line 41 of file struct.hpp.

Member Data Documentation

◆ CDataFileHead

char* DefineList::CDataFileHead

Read from Calcmod in readdef.h. Header of output file such as Green's function.

Definition at line 42 of file struct.hpp.

Referenced by CalcByLOBPCG(), CalcByTEM(), CalcSpectrumByBiCG(), expec_cisajs(), expec_cisajscktaltdc(), inputHam(), LOBPCG_Main(), output(), outputHam(), OutputSpectrum(), ReadDefFileNInt(), setmem_HEAD(), SetOmega(), sz(), TimeKeeper(), TimeKeeperWithRandAndStep(), and TimeKeeperWithStep().

◆ CisAjt

int** DefineList::CisAjt

[DefineList::NCisAjt][4] Indices of one-body correlation function. malloc in setmem_def().

Definition at line 174 of file struct.hpp.

Referenced by expec_cisajs(), expec_cisajs_Hubbard(), expec_cisajs_HubbardGC(), expec_cisajs_SpinGCGeneral(), expec_cisajs_SpinGCHalf(), expec_cisajs_SpinGeneral(), expec_cisajs_SpinHalf(), ReadDefFileIdxPara(), and setmem_def().

◆ CisAjtCkuAlvDC

int** DefineList::CisAjtCkuAlvDC

[DefineList::NCisAjtCkuAlvDC][4] Indices of two-body correlation function. malloc in setmem_def().

Definition at line 177 of file struct.hpp.

Referenced by expec_cisajscktalt_Hubbard(), expec_cisajscktalt_HubbardGC(), expec_cisajscktalt_SpinGeneral(), expec_cisajscktaltdc(), ReadDefFileIdxPara(), and setmem_def().

◆ CoulombInter

int** DefineList::CoulombInter

[DefineList::NCoulombInter][2] Index of off-site coulomb interaction. malloc in setmem_def().

Definition at line 128 of file struct.hpp.

Referenced by diagonalcalc(), ReadDefFileIdxPara(), and setmem_def().

◆ CoulombIntra

int** DefineList::CoulombIntra

[DefineList::NCoulombIntra][1] Index of on-site coulomb interaction. malloc in setmem_def().

Definition at line 122 of file struct.hpp.

Referenced by diagonalcalc(), ReadDefFileIdxPara(), and setmem_def().

◆ CParaFileHead

char* DefineList::CParaFileHead

Read from Calcmod in readdef.h. It is not used. Just for the compatibility to mVMC.

Definition at line 44 of file struct.hpp.

Referenced by ReadDefFileNInt(), and setmem_HEAD().

◆ dcOmegaMax

std::complex<double> DefineList::dcOmegaMax

Upper limit of the frequency for the spectrum.

Definition at line 211 of file struct.hpp.

Referenced by CalcSpectrum(), ReadDefFileNInt(), and SetOmega().

◆ dcOmegaMin

std::complex<double> DefineList::dcOmegaMin

Lower limit of the frequency for the spectrum.

Definition at line 212 of file struct.hpp.

Referenced by CalcSpectrum(), ReadDefFileNInt(), and SetOmega().

◆ dcOmegaOrg

std::complex<double> DefineList::dcOmegaOrg

Origin limit of the frequency for the spectrum.

Definition at line 213 of file struct.hpp.

Referenced by CalcSpectrum(), OutputSpectrum(), and ReadDefFileNInt().

◆ EDChemi

int* DefineList::EDChemi

[DefineList::Nsite] Chemical potential. malloc in setmem_def().

Definition at line 98 of file struct.hpp.

Referenced by CheckTransferHermite(), diagonalcalc(), ReadDefFileIdxPara(), and setmem_def().

◆ EDGeneralTransfer

int** DefineList::EDGeneralTransfer

Index of transfer integrals for calculation. malloc in setmem_def().
Data Format [DefineList::NTransfer][4]: 0->site number i, 1-> spin index on i, 2-> site number j, 3-> spin index on j.

Definition at line 110 of file struct.hpp.

Referenced by CheckTransferHermite(), child_general_hopp_MPIdouble(), child_general_hopp_MPIsingle(), GC_child_general_hopp_MPIdouble(), GC_child_general_hopp_MPIsingle(), HPhiTrans(), mltplyGeneralSpinGC(), mltplyHalfSpinGC(), mltplyHubbard(), mltplyHubbardGC(), setmem_def(), TransferForQuench(), and TransferWithPeierls().

◆ EDNChemi

int DefineList::EDNChemi = 0

Number of on-site term.

Definition at line 97 of file struct.hpp.

Referenced by CheckTransferHermite(), diagonalcalc(), and ReadDefFileIdxPara().

◆ EDNTransfer

int DefineList::EDNTransfer = 0

Number of transfer integrals for calculation.

Definition at line 105 of file struct.hpp.

Referenced by CalcByTEM(), CheckTransferHermite(), HPhiTrans(), mltplyGeneralSpinGC(), mltplyHalfSpinGC(), mltplyHubbard(), mltplyHubbardGC(), TransferForQuench(), and TransferWithPeierls().

◆ EDParaChemi

double* DefineList::EDParaChemi

[DefineList::Nsite] On-site potential parameter. malloc in setmem_def().

Definition at line 100 of file struct.hpp.

Referenced by CheckTransferHermite(), diagonalcalc(), ReadDefFileIdxPara(), and setmem_def().

◆ EDParaGeneralTransfer

std::complex<double>* DefineList::EDParaGeneralTransfer

Value of general transfer integrals by a def file. malloc in setmem_def().
Data Format [DefineList::NTransfer].

Definition at line 116 of file struct.hpp.

Referenced by CheckTransferHermite(), child_general_hopp_MPIdouble(), child_general_hopp_MPIsingle(), GC_child_general_hopp_MPIdouble(), GC_child_general_hopp_MPIsingle(), mltplyGeneralSpinGC(), mltplyHalfSpinGC(), mltplyHubbard(), mltplyHubbardGC(), setmem_def(), TransferForQuench(), and TransferWithPeierls().

◆ EDSpinChemi

int* DefineList::EDSpinChemi

[DefineList::Nsite]

Definition at line 99 of file struct.hpp.

Referenced by CheckTransferHermite(), diagonalcalc(), ReadDefFileIdxPara(), and setmem_def().

◆ ExchangeCoupling

int** DefineList::ExchangeCoupling

[DefineList::NExchangeCoupling][2] Index of exchange term. malloc in setmem_def().

Definition at line 146 of file struct.hpp.

Referenced by child_exchange_GetInfo(), child_exchange_spin_GetInfo(), mltplyHalfSpin(), mltplyHalfSpinGC(), mltplyHubbard(), mltplyHubbardGC(), ReadDefFileIdxPara(), and setmem_def().

◆ fidx

int DefineList::fidx = 0

Always 0, it is not used ???

Definition at line 89 of file struct.hpp.

Referenced by ReadDefFileNInt().

◆ GeneralTransfer

int** DefineList::GeneralTransfer

Index of transfer integrals obtained by a def file. malloc in setmem_def().
Data Format [DefineList::NTransfer][4]: 0->site number i, 1-> spin index on i, 2-> site number j, 3-> spin index on j.

Definition at line 106 of file struct.hpp.

Referenced by CheckSpinIndexForTrans(), CheckTransferHermite(), ReadDefFileIdxPara(), and setmem_def().

◆ HundCoupling

int** DefineList::HundCoupling

[DefineList::NHundCoupling][2] Index of Hund coupling. malloc in setmem_def().

Definition at line 134 of file struct.hpp.

Referenced by diagonalcalc(), ReadDefFileIdxPara(), and setmem_def().

◆ iCalcEigenVec

int DefineList::iCalcEigenVec = 0

Switch for method to calculate eigenvectors. 0:Lanczos+CG, 1: Lanczos. default value is set as 0 in readdef.c.

Definition at line 195 of file struct.hpp.

Referenced by ReadcalcmodFile().

◆ iCalcModel

int DefineList::iCalcModel = 0

Switch for model. 0:Hubbard, 1:Spin, 2:Kondo, 3:HubbardGC, 4:SpinGC, 5:KondoGC, 6:HubbardNConserved.

Definition at line 200 of file struct.hpp.

Referenced by CalcByLOBPCG(), check(), CheckLocSpin(), CheckMPI(), CheckMPI_Summary(), child_omp_sz(), child_omp_sz_hacker(), expec_cisajs(), expec_cisajs_Hubbard(), expec_cisajscktaltdc(), expec_energy_flct(), expec_totalspin(), GetlistSize(), GetPairExcitedState(), GetPairExcitedStateHubbard(), GetSingleExcitedState(), MakeExcitedList(), mltply(), output(), output_list(), OutputTimer(), phys(), Read_sz(), ReadcalcmodFile(), ReadDefFileIdxPara(), ReadDefFileNInt(), SetDiagonalChemi(), SetDiagonalCoulombInter(), SetDiagonalCoulombIntra(), SetDiagonalHund(), SetDiagonalInterAll(), SetDiagonalTEChemi(), SetDiagonalTEInterAll(), SetDiagonalTETransfer(), sz(), totalspin_Hubbard(), and totalspin_Spin().

◆ iCalcType

int DefineList::iCalcType = 0

Switch for calculation type. 0:Lanczos, 1:TPQCalc, 2:FullDiag.

Definition at line 194 of file struct.hpp.

Referenced by CalcSpectrum(), check(), expec_cisajs(), expec_cisajscktaltdc(), expec_energy_flct(), main(), mltply(), output(), OutputTimer(), phys(), ReadcalcmodFile(), ReadDefFileNInt(), setmem_def(), setmem_large(), and SetOmega().

◆ iFlagListModified

int DefineList::iFlagListModified = 0

When the Hilbert space of excited state differs from the original one.

Definition at line 219 of file struct.hpp.

Referenced by CalcSpectrum(), and GetPairExcitedStateHubbard().

◆ iFlgCalcSpec

int DefineList::iFlgCalcSpec = 0

Input parameter CalcSpec in teh CalcMod file.

Definition at line 218 of file struct.hpp.

Referenced by CalcSpectrum(), CalcSpectrumByBiCG(), check(), main(), OutputTimer(), ReadcalcmodFile(), and sz().

◆ iFlgFiniteTemperature

int DefineList::iFlgFiniteTemperature = 0

???

Definition at line 199 of file struct.hpp.

Referenced by ReadcalcmodFile().

◆ iFlgGeneralSpin

int DefineList::iFlgGeneralSpin = 0

Flag for the general (Sz/=1/2) spin.

Definition at line 86 of file struct.hpp.

Referenced by CalcByLOBPCG(), check(), CheckLocSpin(), CheckMPI(), CheckMPI_Summary(), CheckSpinIndexForTrans(), CheckTotal2Sz(), expec_cisajs_Spin(), expec_cisajs_SpinGC(), expec_cisajscktalt_Spin(), expec_cisajscktalt_SpinGC(), expec_energy_flct(), GetlistSize(), GetPairExcitedState(), GetPairExcitedStateSpin(), GetPairExcitedStateSpinGC(), MakeExcitedList(), mltply(), mltplySpin(), mltplySpinGC(), ReadDefFileIdxPara(), ReadDefFileNInt(), SetDiagonalChemi(), SetDiagonalInterAll(), SetDiagonalTEChemi(), SetDiagonalTEInterAll(), SetDiagonalTETransfer(), sz(), totalspin_Spin(), and totalspin_SpinGC().

◆ iFlgMPI

int DefineList::iFlgMPI = 0

MPI mode.

0: butterfly
1: Parallel Interaction [to be supported]

Definition at line 227 of file struct.hpp.

Referenced by ReadcalcmodFile().

◆ iFlgScaLAPACK

int DefineList::iFlgScaLAPACK = 0

ScaLAPACK mode ( only for FullDiag )

0: Use lapack
1: Use ScaLAPACK

Definition at line 237 of file struct.hpp.

Referenced by check(), CheckMPI_Summary(), main(), and ReadcalcmodFile().

◆ iFlgSpecOmegaMax

int DefineList::iFlgSpecOmegaMax = 0

Whether DefineList::dcOmegaMax is input or not.

Definition at line 215 of file struct.hpp.

Referenced by ReadDefFileNInt(), and SetOmega().

◆ iFlgSpecOmegaMin

int DefineList::iFlgSpecOmegaMin = 0

Whether DefineList::dcOmegaMin is input or not.

Definition at line 216 of file struct.hpp.

Referenced by ReadDefFileNInt(), and SetOmega().

◆ iFlgSpecOmegaOrg

int DefineList::iFlgSpecOmegaOrg = 0

Whether DefineList::dcOmegaOrg is input or not.

Definition at line 217 of file struct.hpp.

Referenced by CalcSpectrum(), and ReadDefFileNInt().

◆ iFlgSzConserved

int DefineList::iFlgSzConserved = 0

Flag whether Sz is conserved.

Definition at line 87 of file struct.hpp.

Referenced by CheckTotal2Sz(), expec_cisajs_Hubbard(), expec_cisajscktalt_Hubbard(), and ReadDefFileNInt().

◆ iInitialVecType

int DefineList::iInitialVecType = 0

Switch for type of inital vectors. 0:complex type, 1: real type. default value is set as 0 in readdef.c.

Definition at line 197 of file struct.hpp.

Referenced by Initialize_wave(), and ReadcalcmodFile().

◆ iInputEigenVec

int DefineList::iInputEigenVec = 0

Switch for reading an eigenvector. 0: no input, 1:input.

Definition at line 205 of file struct.hpp.

Referenced by CalcByLOBPCG(), CalcByTEM(), and ReadcalcmodFile().

◆ iInputHam

int DefineList::iInputHam = 0

brief Switch for reading a Hamiltonian. 0: no input, 1:input

Definition at line 207 of file struct.hpp.

Referenced by CalcByFullDiag(), and ReadcalcmodFile().

◆ iNGPU

int DefineList::iNGPU = 0

GPU mode ( only for FullDiag )

0: Use lapack
>0: Use GPU

Definition at line 232 of file struct.hpp.

Referenced by lapack_diag(), and ReadcalcmodFile().

◆ initial_iv

long int DefineList::initial_iv = 0

Seed of random number for initial guesss of wavefunctions.

Definition at line 76 of file struct.hpp.

Referenced by CalcByLOBPCG(), Initialize_wave(), and ReadDefFileNInt().

◆ iNOmega

int DefineList::iNOmega = 0

Number of frequencies for spectrum.

Definition at line 214 of file struct.hpp.

Referenced by CalcSpectrum(), and ReadDefFileNInt().

◆ InterAll

int** DefineList::InterAll

[DefineList::NinterAll][8] Interacted quartet

Definition at line 160 of file struct.hpp.

Referenced by ReadDefFileIdxPara(), and setmem_def().

◆ InterAll_Diagonal

int** DefineList::InterAll_Diagonal

[DefineList::NinterAll_Diagonal][4] Interacted quartet

Definition at line 162 of file struct.hpp.

Referenced by diagonalcalc(), ReadDefFileIdxPara(), and setmem_def().

◆ InterAll_OffDiagonal

int** DefineList::InterAll_OffDiagonal

[DefineList::NinterAll_OffDiagonal][8] Interacted quartet

Definition at line 161 of file struct.hpp.

Referenced by child_general_int_GeneralSpin_MPIdouble(), child_general_int_GeneralSpin_MPIsingle(), child_general_int_spin_MPIdouble(), child_general_int_spin_MPIsingle(), GC_child_CisAisCjuAjv_spin_MPIdouble(), GC_child_CisAisCjuAjv_spin_MPIsingle(), GC_child_CisAitCiuAiv_spin_MPIdouble(), GC_child_CisAitCiuAiv_spin_MPIsingle(), GC_child_CisAitCjuAju_spin_MPIdouble(), GC_child_CisAitCjuAju_spin_MPIsingle(), GC_child_general_int_GeneralSpin_MPIdouble(), GC_child_general_int_GeneralSpin_MPIsingle(), GC_child_general_int_spin_MPIdouble(), GC_child_general_int_spin_MPIsingle(), MakeTEDInterAll(), mltplyGeneralSpin(), mltplyGeneralSpinGC(), mltplyHalfSpin(), mltplyHalfSpinGC(), mltplyHubbard(), mltplyHubbardGC(), ReadDefFileIdxPara(), and setmem_def().

◆ iOutputEigenVec

int DefineList::iOutputEigenVec = 0

ASwitch for outputting an eigenvector. 0: no output, 1:output.

Definition at line 204 of file struct.hpp.

Referenced by CalcByLOBPCG(), CalcByTEM(), and ReadcalcmodFile().

◆ iOutputExVec

int DefineList::iOutputExVec = 0

brief Switch for outputting an excited vector. 0: no output, 1:output

Definition at line 208 of file struct.hpp.

Referenced by ReadcalcmodFile().

◆ iOutputHam

int DefineList::iOutputHam = 0

brief Switch for outputting a Hamiltonian. 0: no output, 1:output

Definition at line 206 of file struct.hpp.

Referenced by CalcByFullDiag(), and ReadcalcmodFile().

◆ iOutputMode

int DefineList::iOutputMode = 0

Switch for output mode. 0: OneBodyG and TwoBodyG. 1: OneBodyG and TwoBodyG and correlations for charge and spin.

Definition at line 202 of file struct.hpp.

Referenced by ReadcalcmodFile().

◆ irand

int DefineList::irand = 0

Input keyword TargetTPQRand ???

Definition at line 79 of file struct.hpp.

Referenced by ReadDefFileNInt().

◆ iReStart

int DefineList::iReStart = 0

An integer for restarting output a Hamiltonian.

0: not restart
1:restart (output restart vector),
2: restart (input and output restart vector)

Definition at line 223 of file struct.hpp.

Referenced by CalcByTEM(), CalcByTPQ(), Initialize_wave(), LOBPCG_Main(), and ReadcalcmodFile().

◆ istep

int DefineList::istep = 0

Index of TPQ step ???

Definition at line 78 of file struct.hpp.

Referenced by CalcByTEM(), CalcByTPQ(), expec_cisajs(), and expec_cisajscktaltdc().

◆ k_exct

int DefineList::k_exct = 0

Read from Calcmod in readdef.h.

Definition at line 47 of file struct.hpp.

Referenced by CalcByLOBPCG(), check(), Initialize_wave(), LOBPCG_Main(), main(), Output_restart(), ReadDefFileNInt(), and setmem_large().

◆ Lanczos_max

int DefineList::Lanczos_max = 0

Maximum number of iterations.

Definition at line 74 of file struct.hpp.

Referenced by CalcByTEM(), CalcByTPQ(), CalcSpectrumByBiCG(), LOBPCG_Main(), and ReadDefFileNInt().

◆ Lanczos_restart

int DefineList::Lanczos_restart = 0

Number of iterations performed in the restart computation.

Definition at line 75 of file struct.hpp.

◆ LanczosEps

int DefineList::LanczosEps = 0

log(10 base) of the convergence threshold. Read from Calcmod in readdef.h

Definition at line 48 of file struct.hpp.

Referenced by LOBPCG_Main(), ReadDefFileNInt(), and SetConvergenceFactor().

◆ LanczosTarget

int DefineList::LanczosTarget = 0

Which eigenstate is used to check convergence. Read from Calcmod in readdef.h.

Definition at line 50 of file struct.hpp.

Referenced by ReadDefFileNInt().

◆ LocSpn

int* DefineList::LocSpn

[DefineList::NLocSpn] Flag (and size) of the local spin. malloc in setmem_def().

Definition at line 82 of file struct.hpp.

Referenced by CheckLocSpin(), CheckMPI(), CheckSpinIndexForTrans(), child_omp_sz_Kondo(), child_omp_sz_Kondo_hacker(), child_omp_sz_KondoGC(), expec_cisajs_Hubbard(), ReadDefFileIdxPara(), setmem_def(), and sz().

◆ NCisAjt

int DefineList::NCisAjt = 0

Number of indices of two-body correlation function.

Definition at line 175 of file struct.hpp.

Referenced by expec_cisajs(), expec_cisajs_Hubbard(), expec_cisajs_HubbardGC(), expec_cisajs_SpinGCGeneral(), expec_cisajs_SpinGCHalf(), expec_cisajs_SpinGeneral(), expec_cisajs_SpinHalf(), InitializeInteractionNum(), ReadDefFileIdxPara(), ReadDefFileNInt(), and setmem_def().

◆ NCisAjtCkuAlvDC

int DefineList::NCisAjtCkuAlvDC = 0

Number of indices of two-body correlation function.

Definition at line 178 of file struct.hpp.

Referenced by expec_cisajscktalt_Hubbard(), expec_cisajscktalt_HubbardGC(), expec_cisajscktalt_SpinGCGeneral(), expec_cisajscktalt_SpinGCHalf(), expec_cisajscktalt_SpinGeneral(), expec_cisajscktalt_SpinHalf(), expec_cisajscktaltdc(), InitializeInteractionNum(), ReadDefFileIdxPara(), ReadDefFileNInt(), and setmem_def().

◆ NCond

int DefineList::NCond = 0

Number of itinerant electrons.

Definition at line 85 of file struct.hpp.

Referenced by CheckTotal2Sz(), and ReadDefFileNInt().

◆ NCoulombInter

int DefineList::NCoulombInter = 0

Number of off-site Coulomb interaction.

Definition at line 127 of file struct.hpp.

Referenced by diagonalcalc(), InitializeInteractionNum(), ReadDefFileIdxPara(), ReadDefFileNInt(), ResetInteractionNum(), and setmem_def().

◆ NCoulombIntra

int DefineList::NCoulombIntra = 0

Number of on-site Coulomb interaction

Definition at line 121 of file struct.hpp.

Referenced by diagonalcalc(), InitializeInteractionNum(), ReadDefFileIdxPara(), ReadDefFileNInt(), and setmem_def().

◆ Ndown

int DefineList::Ndown = 0

Number of spin-down electrons in this process.

Definition at line 59 of file struct.hpp.

Referenced by CalcSpectrum(), check(), CheckMPI(), CheckMPI_Summary(), CheckTotal2Sz(), child_omp_sz(), child_omp_sz_hacker(), child_omp_sz_Kondo(), child_omp_sz_Kondo_hacker(), MakeExcitedList(), output(), output_list(), Read_sz(), ReadDefFileNInt(), and sz().

◆ NdownMPI

int DefineList::NdownMPI = 0

Total number of spin-down electrons across processes. Deffer from DefineList::Ndown. Read from modpara in readdef.h.

Definition at line 62 of file struct.hpp.

Referenced by CalcSpectrum(), and ReadDefFileNInt().

◆ NdownOrg

int DefineList::NdownOrg = 0

Number of spin-down electrons before exitation. Used only in the spectrum calculation. Read from modpara in readdef.h.

Definition at line 66 of file struct.hpp.

Referenced by MakeExcitedList(), and ReadDefFileNInt().

◆ Ne

int DefineList::Ne = 0

Number of electrons in this process.

Definition at line 71 of file struct.hpp.

Referenced by CalcSpectrum(), check(), CheckMPI(), CheckMPI_Summary(), child_omp_sz(), child_omp_sz_hacker(), child_omp_sz_spin(), child_omp_sz_spin_hacker(), MakeExcitedList(), output_list(), Read_sz(), ReadDefFileNInt(), and sz().

◆ NeMPI

int DefineList::NeMPI = 0

Total number of electrons across process. Differ from DefineList::Ne .

Definition at line 72 of file struct.hpp.

Referenced by CalcSpectrum(), MakeExcitedList(), and ReadDefFileNInt().

◆ NExchangeCoupling

int DefineList::NExchangeCoupling = 0

Number of exchange term.

Definition at line 145 of file struct.hpp.

Referenced by InitializeInteractionNum(), mltplyHalfSpin(), mltplyHalfSpinGC(), mltplyHubbard(), mltplyHubbardGC(), ReadDefFileIdxPara(), ReadDefFileNInt(), and setmem_def().

◆ NHundCoupling

int DefineList::NHundCoupling = 0

Number of Hund coupling.

Definition at line 133 of file struct.hpp.

Referenced by diagonalcalc(), InitializeInteractionNum(), ReadDefFileIdxPara(), ReadDefFileNInt(), ResetInteractionNum(), and setmem_def().

◆ NInterAll

int DefineList::NInterAll = 0

Total Number of Interacted quartet.

Definition at line 163 of file struct.hpp.

Referenced by InitializeInteractionNum(), ReadDefFileIdxPara(), ReadDefFileNInt(), and setmem_def().

◆ NInterAll_Diagonal

int DefineList::NInterAll_Diagonal = 0

Number of interall term (diagonal)

Definition at line 164 of file struct.hpp.

Referenced by diagonalcalc(), InitializeInteractionNum(), and ReadDefFileIdxPara().

◆ NInterAll_OffDiagonal

int DefineList::NInterAll_OffDiagonal = 0

Number of interall term (off-diagonal)

Definition at line 165 of file struct.hpp.

Referenced by CalcByTEM(), InitializeInteractionNum(), MakeTEDInterAll(), mltplyGeneralSpin(), mltplyGeneralSpinGC(), mltplyHalfSpin(), mltplyHalfSpinGC(), mltplyHubbard(), mltplyHubbardGC(), and ReadDefFileIdxPara().

◆ NIsingCoupling

int DefineList::NIsingCoupling = 0

Number of Ising term.

Definition at line 151 of file struct.hpp.

Referenced by InitializeInteractionNum(), ReadDefFileIdxPara(), ReadDefFileNInt(), ResetInteractionNum(), and setmem_def().

◆ NLaser

int DefineList::NLaser = 0

Definition at line 252 of file struct.hpp.

Referenced by CalcByTEM(), InitializeInteractionNum(), ReadDefFileIdxPara(), ReadDefFileNInt(), and setmem_def().

◆ NLocSpn

int DefineList::NLocSpn = 0

Number of local spins.

Definition at line 84 of file struct.hpp.

Referenced by check(), CheckMPI(), CheckTotal2Sz(), ReadDefFileNInt(), and sz().

◆ NNPairExcitationOperator

int DefineList::NNPairExcitationOperator = 0

Number of pair excitaion operator for spectrum.

Definition at line 189 of file struct.hpp.

Referenced by CalcSpectrum(), GetExcitedState(), InitializeInteractionNum(), MakeExcitedList(), ReadDefFileIdxPara(), ReadDefFileNInt(), and setmem_def().

◆ NNSingleExcitationOperator

int DefineList::NNSingleExcitationOperator = 0

Number of single excitaion operator for spectrum.

Definition at line 182 of file struct.hpp.

Referenced by CalcSpectrum(), GetExcitedState(), InitializeInteractionNum(), MakeExcitedList(), ReadDefFileIdxPara(), ReadDefFileNInt(), and setmem_def().

◆ NPairExcitationOperator

int* DefineList::NPairExcitationOperator

Number of pair excitaion operator for spectrum.

Definition at line 190 of file struct.hpp.

Referenced by GetPairExcitedStateGeneralSpin(), GetPairExcitedStateGeneralSpinGC(), GetPairExcitedStateHalfSpin(), GetPairExcitedStateHubbard(), GetPairExcitedStateHubbardGC(), ReadDefFileIdxPara(), and setmem_def().

◆ NPairHopping

int DefineList::NPairHopping = 0

Number of pair-hopping term.

Definition at line 139 of file struct.hpp.

Referenced by InitializeInteractionNum(), mltplyHubbard(), mltplyHubbardGC(), ReadDefFileIdxPara(), ReadDefFileNInt(), and setmem_def().

◆ NPairLiftCoupling

int DefineList::NPairLiftCoupling = 0

Number of pair-lift term.

Definition at line 153 of file struct.hpp.

Referenced by InitializeInteractionNum(), mltplyHalfSpinGC(), ReadDefFileIdxPara(), ReadDefFileNInt(), and setmem_def().

◆ NSingleExcitationOperator

int* DefineList::NSingleExcitationOperator

Number of single excitaion operator for spectrum.

Definition at line 183 of file struct.hpp.

Referenced by GetSingleExcitedState(), GetSingleExcitedStateHubbard(), GetSingleExcitedStateHubbardGC(), ReadDefFileIdxPara(), and setmem_def().

◆ Nsite

int DefineList::Nsite = 0

Number of sites in the INTRA process region.

Definition at line 56 of file struct.hpp.

Referenced by CalcSpectrum(), check(), CheckLocSpin(), CheckMPI(), CheckMPI_Summary(), CheckPE(), child_omp_sz(), child_omp_sz_hacker(), child_omp_sz_Kondo(), child_omp_sz_Kondo_hacker(), child_omp_sz_KondoGC(), child_omp_sz_spin_hacker(), expec_cisajs(), expec_cisajs_Hubbard(), expec_cisajs_HubbardGC(), expec_cisajs_SpinGCGeneral(), expec_cisajs_SpinGCHalf(), expec_cisajs_SpinGeneral(), expec_cisajs_SpinHalf(), expec_cisajscktalt_SpinGCGeneral(), expec_cisajscktalt_SpinGCHalf(), expec_cisajscktalt_SpinGeneral(), expec_cisajscktalt_SpinHalf(), expec_cisajscktaltdc(), expec_energy_flct(), expec_energy_flct_GeneralSpin(), expec_energy_flct_GeneralSpinGC(), expec_energy_flct_HalfSpin(), expec_energy_flct_HalfSpinGC(), expec_energy_flct_Hubbard(), expec_energy_flct_HubbardGC(), GetlistSize(), GetPairExcitedState(), GetPairExcitedStateGeneralSpin(), GetPairExcitedStateGeneralSpinGC(), GetPairExcitedStateHalfSpin(), GetPairExcitedStateHubbard(), GetPairExcitedStateHubbardGC(), GetSgnInterAll(), GetSingleExcitedStateHubbard(), GetSingleExcitedStateHubbardGC(), MakeExcitedList(), mltply(), mltplyGeneralSpin(), mltplyGeneralSpinGC(), mltplyHalfSpin(), mltplyHalfSpinGC(), mltplyHubbard(), mltplyHubbardGC(), output_list(), Read_sz(), ReadDefFileIdxPara(), ReadDefFileNInt(), SetDiagonalChemi(), SetDiagonalCoulombInter(), SetDiagonalCoulombIntra(), SetDiagonalHund(), SetDiagonalInterAll(), SetDiagonalTEChemi(), SetDiagonalTEInterAll(), SetDiagonalTETransfer(), setmem_def(), SetOmega(), sz(), totalspin_Hubbard(), totalspin_Spin(), totalspin_SpinGC(), X_child_CisAis_Hubbard_MPI(), X_child_CisAisCjtAjt_Hubbard_MPI(), X_child_CisAjt_MPIsingle(), X_child_CisAjtCkuAku_Hubbard_MPI(), X_child_CisAjtCkuAlv_Hubbard_MPI(), X_child_general_hopp_MPIsingle(), X_GC_child_CisAis_Hubbard_MPI(), X_GC_child_CisAisCjtAjt_Hubbard_MPI(), X_GC_child_CisAjt_Hubbard_MPI(), X_GC_child_CisAjtCkuAku_Hubbard_MPI(), X_GC_child_CisAjtCkuAlv_Hubbard_MPI(), and X_GC_child_general_hopp_MPIsingle().

◆ NsiteMPI

int DefineList::NsiteMPI = 0

Total number of sites, differ from DefineList::Nsite.

Definition at line 57 of file struct.hpp.

Referenced by CalcByTPQ(), CalcSpectrum(), check(), CheckMPI(), CheckMPI_Summary(), expec_energy_flct(), expec_energy_flct_GeneralSpin(), expec_energy_flct_GeneralSpinGC(), expec_energy_flct_HalfSpin(), expec_energy_flct_HalfSpinGC(), expec_energy_flct_Hubbard(), expec_energy_flct_HubbardGC(), MakeExcitedList(), Multiply(), phys(), totalspin_Hubbard(), totalspin_HubbardGC(), totalspin_Spin(), and totalspin_SpinGC().

◆ NTEChemi

int* DefineList::NTEChemi

[NTE]

Definition at line 296 of file struct.hpp.

Referenced by diagonalcalcForTE(), ReadDefFileIdxPara(), and setmem_def().

◆ NTEInterAll

int* DefineList::NTEInterAll

Number of time-dependent InterAll for Time Evolution.
Data Format [NTE]

Definition at line 273 of file struct.hpp.

Referenced by InitializeInteractionNum(), ReadDefFileIdxPara(), and setmem_def().

◆ NTEInterAllDiagonal

int* DefineList::NTEInterAllDiagonal

Number of diagonal part of time-dependent InterAll for Time Evolution.
Data Format [NTE]

Definition at line 278 of file struct.hpp.

Referenced by diagonalcalcForTE(), ReadDefFileIdxPara(), and setmem_def().

◆ NTEInterAllMax

int DefineList::NTEInterAllMax = 0

Definition at line 272 of file struct.hpp.

Referenced by CalcByTEM(), MakeTEDInterAll(), ReadDefFileNInt(), and setmem_def().

◆ NTEInterAllOffDiagonal

int* DefineList::NTEInterAllOffDiagonal

Number of off-diagonal part of time-dependent InterAll for Time Evolution.
Data Format [NTE]

Definition at line 275 of file struct.hpp.

Referenced by MakeTEDInterAll(), ReadDefFileIdxPara(), and setmem_def().

◆ NTETimeSteps

int DefineList::NTETimeSteps = 0

Definition at line 248 of file struct.hpp.

Referenced by CalcByTEM(), InitializeInteractionNum(), ReadDefFileIdxPara(), ReadDefFileNInt(), and setmem_def().

◆ NTETransfer

int* DefineList::NTETransfer

Number of time-dependent transfer integrals for Time Evolution.
Data Format [NTE]

Definition at line 258 of file struct.hpp.

Referenced by CheckTETransferHermite(), InitializeInteractionNum(), ReadDefFileIdxPara(), and setmem_def().

◆ NTETransferDiagonal

int* DefineList::NTETransferDiagonal

Number of time-dependent transfer integrals for Time Evolution.
Data Format [NTE]

Definition at line 260 of file struct.hpp.

Referenced by CheckTETransferHermite(), diagonalcalcForTE(), and setmem_def().

◆ NTETransferMax

int DefineList::NTETransferMax = 0

Definition at line 257 of file struct.hpp.

Referenced by CalcByTEM(), ReadDefFileNInt(), and setmem_def().

◆ NTransfer

int DefineList::NTransfer = 0

Number of transfer integrals obtained by a def file.

Definition at line 104 of file struct.hpp.

Referenced by CheckSpinIndexForTrans(), CheckTransferHermite(), InitializeInteractionNum(), ReadDefFileIdxPara(), ReadDefFileNInt(), and setmem_def().

◆ Nup

int DefineList::Nup = 0

Number of spin-up electrons in this process.

Definition at line 58 of file struct.hpp.

Referenced by CalcSpectrum(), check(), CheckMPI(), CheckMPI_Summary(), CheckTotal2Sz(), child_omp_sz(), child_omp_sz_hacker(), child_omp_sz_Kondo(), child_omp_sz_Kondo_hacker(), MakeExcitedList(), output(), output_list(), Read_sz(), ReadDefFileNInt(), and sz().

◆ NupMPI

int DefineList::NupMPI = 0

Total number of spin-up electrons across processes. Deffer from DefineList::Nup. Read from modpara in readdef.h.

Definition at line 60 of file struct.hpp.

Referenced by CalcSpectrum(), and ReadDefFileNInt().

◆ NupOrg

int DefineList::NupOrg = 0

Number of spin-up electrons before exitation. Used only in the spectrum calculation. Read from modpara in readdef.h.

Definition at line 64 of file struct.hpp.

Referenced by MakeExcitedList(), and ReadDefFileNInt().

◆ nvec

int DefineList::nvec = 0

Read from Calcmod in readdef.h.

Definition at line 46 of file struct.hpp.

Referenced by main(), and ReadDefFileNInt().

◆ OrgTpow

long int* DefineList::OrgTpow

[2 * DefineList::NsiteMPI] \(2^n\) malloc in setmem_def().

Definition at line 92 of file struct.hpp.

Referenced by CheckMPI_Summary(), expec_cisajscktalt_Hubbard(), expec_cisajscktalt_HubbardGC(), GetPairExcitedStateHubbard(), GetSgnInterAll(), MakeExcitedList(), mltplyHubbard(), mltplyHubbardGC(), setmem_def(), X_child_CisAjtCkuAku_Hubbard_MPI(), X_child_CisAjtCkuAlv_Hubbard_MPI(), X_GC_child_CisAjtCkuAku_Hubbard_MPI(), and X_GC_child_CisAjtCkuAlv_Hubbard_MPI().

◆ PairExcitationOperator

int*** DefineList::PairExcitationOperator

[DefineList::NPairExcitationOperator][5] Indices of pair excitaion operator for spectrum. malloc in setmem_def().

Definition at line 187 of file struct.hpp.

Referenced by GetPairExcitedStateGeneralSpin(), GetPairExcitedStateGeneralSpinGC(), GetPairExcitedStateHalfSpin(), GetPairExcitedStateHubbard(), GetPairExcitedStateHubbardGC(), MakeExcitedList(), ReadDefFileIdxPara(), and setmem_def().

◆ PairHopping

int** DefineList::PairHopping

[DefineList::NPairHopping][2] Index of pair-hopping. malloc in setmem_def().

Definition at line 140 of file struct.hpp.

Referenced by child_pairhopp_GetInfo(), mltplyHubbard(), mltplyHubbardGC(), ReadDefFileIdxPara(), and setmem_def().

◆ PairLiftCoupling

int** DefineList::PairLiftCoupling

[DefineList::NPairHopping][2] Index of pair-lift term. malloc in setmem_def().

Definition at line 154 of file struct.hpp.

Referenced by child_pairlift_spin_GetInfo(), mltplyHalfSpinGC(), ReadDefFileIdxPara(), and setmem_def().

◆ ParaCoulombInter

double* DefineList::ParaCoulombInter

[DefineList::NCoulombInter]Coupling constant of off-site Coulomb interaction. malloc in setmem_def().

Definition at line 130 of file struct.hpp.

Referenced by diagonalcalc(), ReadDefFileIdxPara(), and setmem_def().

◆ ParaCoulombIntra

double* DefineList::ParaCoulombIntra

[DefineList::NCoulombIntra] Coupling constant of on-site Coulomb interaction. malloc in setmem_def().

Definition at line 124 of file struct.hpp.

Referenced by diagonalcalc(), ReadDefFileIdxPara(), and setmem_def().

◆ ParaExchangeCoupling

double* DefineList::ParaExchangeCoupling

[DefineList::NExchangeCoupling] Coupling constant of exchange term. malloc in setmem_def().

Definition at line 148 of file struct.hpp.

Referenced by child_exchange_GetInfo(), child_exchange_spin_GetInfo(), mltplyHalfSpin(), mltplyHalfSpinGC(), mltplyHubbard(), mltplyHubbardGC(), ReadDefFileIdxPara(), and setmem_def().

◆ ParaGeneralTransfer

std::complex<double>* DefineList::ParaGeneralTransfer

Value of general transfer integrals by a def file. malloc in setmem_def().
Data Format [DefineList::NTransfer].

Definition at line 113 of file struct.hpp.

Referenced by CheckTransferHermite(), ReadDefFileIdxPara(), setmem_def(), TransferForQuench(), and TransferWithPeierls().

◆ ParaHundCoupling

double* DefineList::ParaHundCoupling

[DefineList::NHundCoupling] Hund coupling constant. malloc in setmem_def().

Definition at line 136 of file struct.hpp.

Referenced by diagonalcalc(), ReadDefFileIdxPara(), and setmem_def().

◆ ParaInterAll

std::complex<double>* DefineList::ParaInterAll

[DefineList::NInterAll] Coupling constant of inter-all term. malloc in setmem_def().

Definition at line 166 of file struct.hpp.

Referenced by ReadDefFileIdxPara(), and setmem_def().

◆ ParaInterAll_Diagonal

double* DefineList::ParaInterAll_Diagonal

[DefineList::NInterAll_Diagonal] Coupling constant of diagonal inter-all term. malloc in setmem_def().

Definition at line 168 of file struct.hpp.

Referenced by diagonalcalc(), ReadDefFileIdxPara(), and setmem_def().

◆ ParaInterAll_OffDiagonal

std::complex<double>* DefineList::ParaInterAll_OffDiagonal

[DefineList::NInterAll_OffDiagonal] Coupling constant of off-diagonal inter-all term. malloc in setmem_def().

Definition at line 170 of file struct.hpp.

Referenced by child_general_int_GeneralSpin_MPIdouble(), child_general_int_GeneralSpin_MPIsingle(), child_general_int_spin_MPIdouble(), child_general_int_spin_MPIsingle(), GC_child_CisAisCjuAjv_spin_MPIdouble(), GC_child_CisAisCjuAjv_spin_MPIsingle(), GC_child_CisAitCiuAiv_spin_MPIdouble(), GC_child_CisAitCiuAiv_spin_MPIsingle(), GC_child_CisAitCjuAju_spin_MPIdouble(), GC_child_CisAitCjuAju_spin_MPIsingle(), GC_child_general_int_GeneralSpin_MPIdouble(), GC_child_general_int_GeneralSpin_MPIsingle(), MakeTEDInterAll(), mltplyGeneralSpin(), mltplyGeneralSpinGC(), mltplyHalfSpin(), mltplyHalfSpinGC(), mltplyHubbard(), mltplyHubbardGC(), ReadDefFileIdxPara(), and setmem_def().

◆ ParaLaser

double* DefineList::ParaLaser

Definition at line 253 of file struct.hpp.

Referenced by ReadDefFileIdxPara(), setmem_def(), TransferForQuench(), and TransferWithPeierls().

◆ Param

struct ParamList DefineList::Param

Definition at line 243 of file struct.hpp.

Referenced by CalcByTEM(), main(), MultiplyForTEM(), and ReadDefFileNInt().

◆ ParaPairExcitationOperator

std::complex<double>** DefineList::ParaPairExcitationOperator

[DefineList::NPairExcitationOperator] Coefficient of pair excitaion operator for spectrum. malloc in setmem_def().

Definition at line 191 of file struct.hpp.

Referenced by GetPairExcitedStateGeneralSpin(), GetPairExcitedStateGeneralSpinGC(), GetPairExcitedStateHalfSpin(), GetPairExcitedStateHubbard(), GetPairExcitedStateHubbardGC(), ReadDefFileIdxPara(), and setmem_def().

◆ ParaPairHopping

double* DefineList::ParaPairHopping

[DefineList::NPairHopping] Coupling constant of pair-hopping term. malloc in setmem_def().

Definition at line 142 of file struct.hpp.

Referenced by child_pairhopp_GetInfo(), mltplyHubbard(), mltplyHubbardGC(), ReadDefFileIdxPara(), and setmem_def().

◆ ParaPairLiftCoupling

double* DefineList::ParaPairLiftCoupling

[DefineList::NPairHopping] Coupling constant of pair-lift term. malloc in setmem_def().

Definition at line 156 of file struct.hpp.

Referenced by child_pairlift_spin_GetInfo(), mltplyHalfSpinGC(), ReadDefFileIdxPara(), and setmem_def().

◆ ParaSingleExcitationOperator

std::complex<double>** DefineList::ParaSingleExcitationOperator

[DefineList::NSingleExcitationOperator] Coefficient of single excitaion operator for spectrum. malloc in setmem_def().

Definition at line 184 of file struct.hpp.

Referenced by GetSingleExcitedStateHubbard(), GetSingleExcitedStateHubbardGC(), ReadDefFileIdxPara(), and setmem_def().

◆ ParaTEChemi

double** DefineList::ParaTEChemi

[NTE][Nsite]

Definition at line 298 of file struct.hpp.

Referenced by diagonalcalcForTE(), ReadDefFileIdxPara(), and setmem_def().

◆ ParaTEInterAll

std::complex<double>** DefineList::ParaTEInterAll

Value of time-dependent InterAll for Time Evolution.
Data Format [NTE][Ntransfer].

Definition at line 288 of file struct.hpp.

Referenced by ReadDefFileIdxPara(), and setmem_def().

◆ ParaTEInterAllDiagonal

double** DefineList::ParaTEInterAllDiagonal

Value of diagonal part of time-dependent InterAll for Time Evolution.
Data Format [NTE][Ntransfer].

Definition at line 293 of file struct.hpp.

Referenced by diagonalcalcForTE(), ReadDefFileIdxPara(), and setmem_def().

◆ ParaTEInterAllOffDiagonal

std::complex<double>** DefineList::ParaTEInterAllOffDiagonal

Value of off-diagonal part of time-dependent InterAll for Time Evolution.
Data Format [NTE][Ntransfer].

Definition at line 290 of file struct.hpp.

Referenced by MakeTEDInterAll(), ReadDefFileIdxPara(), and setmem_def().

◆ ParaTETransfer

std::complex<double>** DefineList::ParaTETransfer

Value of time-dependent transfer integrals for Time Evolution.
Data Format [NTE][Ntransfer].

Definition at line 266 of file struct.hpp.

Referenced by CheckTETransferHermite(), ReadDefFileIdxPara(), and setmem_def().

◆ ParaTETransferDiagonal

double** DefineList::ParaTETransferDiagonal

Value of time-dependent transfer integrals for Time Evolution.
Data Format [NTE][Ntransfer].

Definition at line 268 of file struct.hpp.

Referenced by CheckTETransferHermite(), diagonalcalcForTE(), and setmem_def().

◆ READ

int DefineList::READ = 0

It is ALWAYS 0 ???

Definition at line 53 of file struct.hpp.

Referenced by ReadDefFileNInt(), and sz().

◆ read_hacker

int DefineList::read_hacker = 0

Whether use an efficient method (=1) in sz.c or not (=0)

Definition at line 52 of file struct.hpp.

Referenced by ReadDefFileNInt(), and sz().

◆ SingleExcitationOperator

int*** DefineList::SingleExcitationOperator

[DefineList::NSingleExcitationOperator][3] Indices of single excitaion operator for spectrum. malloc in setmem_def().

Definition at line 180 of file struct.hpp.

Referenced by GetSingleExcitedStateHubbard(), GetSingleExcitedStateHubbardGC(), MakeExcitedList(), ReadDefFileIdxPara(), and setmem_def().

◆ SiteToBit

long int* DefineList::SiteToBit

[DefineList::NsiteMPI] Similar to DefineList::Tpow. For general spin.

Definition at line 94 of file struct.hpp.

◆ SpinTEChemi

int** DefineList::SpinTEChemi

[NTE][Nsite]

Definition at line 297 of file struct.hpp.

Referenced by diagonalcalcForTE(), ReadDefFileIdxPara(), and setmem_def().

◆ St

int DefineList::St = 0

0 or 1, but it affects nothing.

Definition at line 80 of file struct.hpp.

Referenced by CalcByFullDiag(), CalcByLOBPCG(), CalcByTEM(), CalcByTPQ(), and expec_cisajs().

◆ TEChemi

int** DefineList::TEChemi

[NTE][Nsite]

Definition at line 295 of file struct.hpp.

Referenced by diagonalcalcForTE(), ReadDefFileIdxPara(), and setmem_def().

◆ TEInterAll

int*** DefineList::TEInterAll

Index of time-dependent InterAll for Time Evolution.
Data Format [NTE][NTEInterAll][8]: 0->site number i, 1-> spin index on i, 2-> site number j, 3-> spin index on j. 4->site number k, 5-> spin index on k, 6-> site number l, 7-> spin index on l.

Definition at line 280 of file struct.hpp.

Referenced by ReadDefFileIdxPara(), and setmem_def().

◆ TEInterAllDiagonal

int*** DefineList::TEInterAllDiagonal

Index of diagonal part of time-dependent InterAll for Time Evolution.
Data Format [NTE][NTEInterAll][4]: 0->site number i, 1-> spin index on i, 2-> site number j, 3-> spin index on j.

Definition at line 286 of file struct.hpp.

Referenced by diagonalcalcForTE(), ReadDefFileIdxPara(), and setmem_def().

◆ TEInterAllOffDiagonal

int*** DefineList::TEInterAllOffDiagonal

Index of off-diagonal part of time-dependent InterAll for Time Evolution.
Data Format [NTE][NTEInterAll][8]: 0->site number i, 1-> spin index on i, 2-> site number j, 3-> spin index on j. 4->site number k, 5-> spin index on k, 6-> site number l, 7-> spin index on l.

Definition at line 283 of file struct.hpp.

Referenced by MakeTEDInterAll(), ReadDefFileIdxPara(), and setmem_def().

◆ TETime

double* DefineList::TETime

Definition at line 249 of file struct.hpp.

Referenced by CalcByTEM(), ReadDefFileIdxPara(), and setmem_def().

◆ TETransfer

int*** DefineList::TETransfer

Index of time-dependent transfer integrals for Time Evolution.
Data Format [NTE][Ntransfer][4]: 0->site number i, 1-> spin index on i, 2-> site number j, 3-> spin index on j.

Definition at line 262 of file struct.hpp.

Referenced by CheckTETransferHermite(), ReadDefFileIdxPara(), and setmem_def().

◆ TETransferDiagonal

int*** DefineList::TETransferDiagonal

Index of time-dependent transfer integrals for Time Evolution.
Data Format [NTE][Ntransfer][2]: 0->site number i, 1-> spin index on i.

Definition at line 264 of file struct.hpp.

Referenced by CheckTETransferHermite(), diagonalcalcForTE(), and setmem_def().

◆ Total2Sz

int DefineList::Total2Sz = 0

Total \(2S_z\) in this process.

Definition at line 69 of file struct.hpp.

Referenced by CalcSpectrum(), check(), CheckMPI(), CheckMPI_Summary(), CheckTotal2Sz(), child_omp_sz_GeneralSpin(), MakeExcitedList(), ReadDefFileNInt(), and sz().

◆ Total2SzMPI

int DefineList::Total2SzMPI = 0

Total \(2S_z\) across processes.

Definition at line 70 of file struct.hpp.

Referenced by CalcSpectrum(), check(), CheckMPI(), expec_energy_flct(), expec_totalspin(), and MakeExcitedList().

◆ Tpow

long int* DefineList::Tpow

[2 * DefineList::NsiteMPI] \(2^n\) malloc in setmem_def().

Definition at line 90 of file struct.hpp.

◆ WRITE

int DefineList::WRITE = 0

It is ALWAYS 0 ???

Definition at line 54 of file struct.hpp.

Referenced by main(), and ReadDefFileNInt().

The documentation for this struct was generated from the following file:

/mnt/c/Users/kawamuura/program/hphi/hphi/src/include/struct.hpp

Public Attributes

Detailed Description

Member Data Documentation

◆ CDataFileHead

◆ CisAjt

◆ CisAjtCkuAlvDC

◆ CoulombInter

◆ CoulombIntra

◆ CParaFileHead

◆ dcOmegaMax

◆ dcOmegaMin

◆ dcOmegaOrg

◆ EDChemi

◆ EDGeneralTransfer

◆ EDNChemi

◆ EDNTransfer

◆ EDParaChemi

◆ EDParaGeneralTransfer

◆ EDSpinChemi

◆ ExchangeCoupling

◆ fidx

◆ GeneralTransfer

◆ HundCoupling

◆ iCalcEigenVec

◆ iCalcModel

◆ iCalcType

◆ iFlagListModified

◆ iFlgCalcSpec

◆ iFlgFiniteTemperature

◆ iFlgGeneralSpin

◆ iFlgMPI

◆ iFlgScaLAPACK

◆ iFlgSpecOmegaMax

◆ iFlgSpecOmegaMin

◆ iFlgSpecOmegaOrg

◆ iFlgSzConserved

◆ iInitialVecType

◆ iInputEigenVec

◆ iInputHam

◆ iNGPU

◆ initial_iv

◆ iNOmega

◆ InterAll

◆ InterAll_Diagonal

◆ InterAll_OffDiagonal

◆ iOutputEigenVec

◆ iOutputExVec

◆ iOutputHam

◆ iOutputMode

◆ irand

◆ iReStart

◆ istep

◆ k_exct

◆ Lanczos_max

◆ Lanczos_restart

◆ LanczosEps

◆ LanczosTarget

◆ LocSpn

◆ NCisAjt

◆ NCisAjtCkuAlvDC

◆ NCond

◆ NCoulombInter

◆ NCoulombIntra

◆ Ndown

◆ NdownMPI

◆ NdownOrg

◆ Ne

◆ NeMPI

◆ NExchangeCoupling

◆ NHundCoupling

◆ NInterAll

◆ NInterAll_Diagonal

◆ NInterAll_OffDiagonal

◆ NIsingCoupling

◆ NLaser

◆ NLocSpn

◆ NNPairExcitationOperator

◆ NNSingleExcitationOperator

◆ NPairExcitationOperator

◆ NPairHopping