struct.h

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

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

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

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

    //[s] For Time Evolution

    //Information of Time
    unsigned int NTETimeSteps;
    double *TETime;

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

    //Information of Transfer integrals
    unsigned int NTETransferMax;
    unsigned int *NTETransfer;        
    unsigned int *NTETransferDiagonal;        
    int ***TETransfer;      
    int ***TETransferDiagonal;      
    double complex **ParaTETransfer;  
    double **ParaTETransferDiagonal;  
    //Two-body part
    unsigned int NTEInterAllMax;
    unsigned int *NTEInterAll;        
    unsigned int *NTEInterAllOffDiagonal;        
    unsigned int *NTEInterAllDiagonal;        
    int ***TEInterAll;      
    int ***TEInterAllOffDiagonal;      
    int ***TEInterAllDiagonal;      
    double complex **ParaTEInterAll;  
    double complex **ParaTEInterAllOffDiagonal;  
    double **ParaTEInterAllDiagonal;  
    int **TEChemi;    
    unsigned int *NTEChemi;   
    int **SpinTEChemi;  
    double **ParaTEChemi;  
    //[e] For Time Evolution
};/*struct DefineList*/
struct CheckList {
  unsigned long int idim_max;
  unsigned long int idim_maxMPI;
  unsigned long int idim_maxOrg;
  unsigned long int idim_maxMPIOrg;
  unsigned long int sdim;
  double max_mem;
};/*struct CheckList*/
struct LargeList {
  double complex prdct;
  int itr;
  long int iv;
  long int i_max;
  long int SizeOflist_2_1;
  long int SizeOflist_2_2;
  long int SizeOflistjb;
  double complex tmp_trans;
  double complex tmp_J;
  long unsigned int is1_up;
  long unsigned int is1_down;
  long unsigned int is2_up;
  long unsigned int is2_down;
  int mode;
  double sgn;
  long unsigned int is1_spin;
  long unsigned int is2_spin;
  long unsigned int is3_spin;
  long unsigned int is4_spin;
  int isite1;
  int isite2;
  int isite3;
  int isite4;
  long unsigned int A_spin;
  long unsigned int B_spin;
  long unsigned int irght;
  long unsigned int ilft;
  long unsigned int ihfbit;
  long unsigned int isA_spin;
  long unsigned int isB_spin;
  double complex tmp_V;
};/*struct LargeList*/
struct PhysList {
  //double energy,doublon;
  double energy;
  double doublon;
  double doublon2;
  double num;
  double num2;
  double Sz;
  double Sz2;
    /*[s] For TPQ*/
  double var;
    /*[e] For TPQ*/

    /*[s] For Full Diagonalization*/
  int eigen_num;
  double num_up;
  double num_down;
  double s2;
  double *all_energy;
  double *all_doublon;
  double *all_sz;
  double *all_s2;
  double *all_num_up;
  double *all_num_down;
    /*[e] For Full Diagonalization*/

  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;
  long unsigned int R0;
  long unsigned int W0;
  long unsigned int num_pivot;
  long unsigned int ishift_nspin;
  unsigned int NumarrayJ;
  double complex ***arrayJ;
  double complex 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*/

/*global variables---------------------------------------------*/
struct EDMainCalStruct X;
/*-------------------------------------------------------------*/

#endif /* HPHI_STRUCT_H */