struct.hpp

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/* HPhi  -  Quantum Lattice Model Simulator */
/* Copyright (C) 2015 The University of Tokyo */

/* This program is free software: you can redistribute it and/or modify */
/* it under the terms of the GNU General Public License as published by */
/* the Free Software Foundation, either version 3 of the License, or */
/* (at your option) any later version. */

/* This program is distributed in the hope that it will be useful, */
/* but WITHOUT ANY WARRANTY; without even the implied warranty of */
/* MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the */
/* GNU General Public License for more details. */

/* You should have received a copy of the GNU General Public License */
/* along with this program.  If not, see <http://www.gnu.org/licenses/>. */
/*-------------------------------------------------------------
 *[ver.2009.3.31]
 * Exact Diagonalization with Lanczos Method
 *-------------------------------------------------------------
 * Copyright (C) 2006- Takahiro MISAWA. All rights reserved.
 *-------------------------------------------------------------*/
#ifndef HPHI_STRUCT_H
#define HPHI_STRUCT_H

/*=================================================================================================*/
//For TEM
struct ParamList {
    //For Time Evolution
    double Tinit;
    double TimeSlice;
    int OutputInterval = 0;
    int ExpandCoef = 0;
    int ExpecInterval = 0;
};
struct DefineList {
  char *CDataFileHead;
  char *CParaFileHead;
  int nvec = 0;
  int k_exct = 0;
  int LanczosEps = 0;
  int LanczosTarget = 0;
  int read_hacker = 0;
  int READ = 0;
  int WRITE = 0;
  int Nsite = 0;
  int NsiteMPI = 0;
  int Nup = 0;
  int Ndown = 0;
  int NupMPI = 0;
  int NdownMPI = 0;
  int NupOrg = 0;
  int NdownOrg = 0;
  int Total2Sz = 0;
  int Total2SzMPI = 0;
  int Ne = 0;
  int NeMPI = 0;
  int Lanczos_max = 0;
  int Lanczos_restart = 0;
  long int initial_iv = 0;
  int istep = 0;
  int irand = 0;
  int St = 0;
  int *LocSpn;
  int NLocSpn = 0;
  int NCond = 0;
  int iFlgGeneralSpin = 0;
  int iFlgSzConserved = 0;
  int fidx = 0;
  long int *Tpow;
  long int *OrgTpow;
  long int *SiteToBit;
  int EDNChemi = 0;
  int *EDChemi;
  int *EDSpinChemi;
  double *EDParaChemi;
    //[s] Transfer
  int NTransfer = 0;
  int EDNTransfer = 0;
  int **GeneralTransfer;
  int **EDGeneralTransfer;
  std::complex<double> *ParaGeneralTransfer;
  std::complex<double> *EDParaGeneralTransfer;
    //[e] Transfer

  int NCoulombIntra = 0;
  int **CoulombIntra;
  double *ParaCoulombIntra;
  int NCoulombInter = 0;
  int **CoulombInter;
  double *ParaCoulombInter;
  int NHundCoupling = 0;
  int **HundCoupling;
  double *ParaHundCoupling;
  int NPairHopping = 0;
  int **PairHopping;
  double *ParaPairHopping;
  int NExchangeCoupling = 0;
  int **ExchangeCoupling;
  double *ParaExchangeCoupling;
  int NIsingCoupling = 0;
  int NPairLiftCoupling = 0;
  int **PairLiftCoupling;
  double *ParaPairLiftCoupling;
    //[s] For InterAll
  int **InterAll;
  int **InterAll_OffDiagonal;
  int **InterAll_Diagonal;
  int NInterAll = 0;
  int NInterAll_Diagonal = 0;
  int NInterAll_OffDiagonal = 0;
  std::complex<double> *ParaInterAll;
  double *ParaInterAll_Diagonal;
  std::complex<double> *ParaInterAll_OffDiagonal;
    //[e] For InterAll

  int **CisAjt;
  int NCisAjt = 0;
  int **CisAjtCkuAlvDC;
  int NCisAjtCkuAlvDC = 0;
  int ***SingleExcitationOperator;
  int NNSingleExcitationOperator = 0;
  int *NSingleExcitationOperator;
  std::complex<double> **ParaSingleExcitationOperator;
  int ***PairExcitationOperator;
  int NNPairExcitationOperator = 0;
  int *NPairExcitationOperator;
  std::complex<double> **ParaPairExcitationOperator;
  int iCalcType = 0;
  int iCalcEigenVec = 0;
  int iInitialVecType = 0;
  int iFlgFiniteTemperature = 0;
  int iCalcModel = 0;
  int iOutputMode = 0;
  int iOutputEigenVec = 0;
  int iInputEigenVec = 0;
  int iOutputHam = 0;
  int iInputHam = 0;
  int iOutputExVec = 0; 
    //[s] For Spectrum
  std::complex<double> dcOmegaMax;
  std::complex<double> dcOmegaMin;
  std::complex<double> dcOmegaOrg;
  int iNOmega = 0;
  int iFlgSpecOmegaMax = 0;
  int iFlgSpecOmegaMin = 0;
  int iFlgSpecOmegaOrg = 0;
  int iFlgCalcSpec = 0;
  int iFlagListModified = 0;
    //[e] For Spectrum

  int iReStart = 0;
  int iFlgMPI = 0;
    int iNGPU = 0;
    int iFlgScaLAPACK = 0;
    struct ParamList Param;

    //[s] For Time Evolution

    //Information of Time
    int NTETimeSteps = 0;
    double *TETime;

    //[s]For Ido-san version
    int NLaser = 0;
    double *ParaLaser;
    //[e]For Ido-san version

    //Information of Transfer integrals
    int NTETransferMax = 0;
    int *NTETransfer;        
    int *NTETransferDiagonal;        
    int ***TETransfer;      
    int ***TETransferDiagonal;      
    std::complex<double> **ParaTETransfer;  
    double **ParaTETransferDiagonal;  
    //Two-body part
    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;  
    //[e] For Time Evolution
};/*struct DefineList*/
struct CheckList {
  long int idim_max = 0;
  long int idim_maxMPI = 0;
  long int idim_maxOrg = 0;
  long int idim_maxMPIOrg = 0;
  long int sdim = 0;
  double max_mem;
};/*struct CheckList*/
struct LargeList {
  int itr = 0;
  long int iv = 0;
  long int i_max = 0;
  long int SizeOflist_2_1 = 0;
  long int SizeOflist_2_2 = 0;
  long int SizeOflistjb = 0;
  std::complex<double> tmp_trans;
  std::complex<double> tmp_J;
  long int is1_up = 0;
  long int is1_down = 0;
  long int is2_up = 0;
  long int is2_down = 0;
  int mode = 0;
  double sgn;
  long int is1_spin = 0;
  long int is2_spin = 0;
  long int is3_spin = 0;
  long int is4_spin = 0;
  int isite1 = 0;
  int isite2 = 0;
  int isite3 = 0;
  int isite4 = 0;
  long int A_spin = 0;
  long int B_spin = 0;
  long int irght = 0;
  long int ilft = 0;
  long int ihfbit = 0;
  long int isA_spin = 0;
  long int isB_spin = 0;
  std::complex<double> tmp_V;
};/*struct LargeList*/
struct PhysList {
  //double energy,doublon;
  double *energy;
  double *doublon;
  double *doublon2;
  double *num;
  double *num2;
  double *Sz;
  double *Sz2;
  double *num_up;
  double *num_down;
  double *s2;
    /*[s] For TPQ*/
  double *var;
    /*[e] For TPQ*/

  double *spin_real_cor;
  double *charge_real_cor;
  double *loc_spin_z;
  double Target_energy;
  double Target_CG_energy;
};/*struct PhysList*/
struct BoostList {
  int flgBoost = 0;
  long int R0 = 0;
  long int W0 = 0;
  long int num_pivot = 0;
  long int ishift_nspin = 0;
  int NumarrayJ = 0;
  std::complex<double> ***arrayJ;
  std::complex<double> vecB[3];
  int **list_6spin_star;
  int ***list_6spin_pair;
};/*struct BoostList*/
struct BindStruct {
  struct DefineList Def;
  struct CheckList Check;
  struct LargeList Large;
  struct PhysList Phys;
  struct BoostList Boost;
};/*struct BindStruct*/
struct EDMainCalStruct {
  struct BindStruct Bind;
};/*struct EDMainCalStruct*/
struct TimeKeepStruct {
  time_t tstart;
  time_t tnow;
  time_t tend;
};/*struct TimeKeepStruct*/

#endif /* HPHI_STRUCT_H */