readdef.cpp File Reference

File to define functions of reading input files. More...

#include "Common.hpp"
#include "readdef.hpp"
#include <cctype>
#include "wrapperMPI.hpp"
#include "common/setmemory.hpp"
#include <iostream>
#include "version_major.hpp"
#include "version_miner.hpp"
#include "version_patch.hpp"

Go to the source code of this file.

Functions
int	CheckInterAllCondition (int iCalcModel, int Nsite, int iFlgGeneralSpin, int *iLocInfo, int isite1, int isigma1, int isite2, int isigma2, int isite3, int isigma3, int isite4, int isigma4)
	Check InterAll condition. More...
int	InputInterAllInfo (int *icnt_interall, int **iInterAllInfo, std::complex< double > *cInterAllValue, int isite1, int isigma1, int isite2, int isigma2, int isite3, int isigma3, int isite4, int isigma4, double dvalue_re, double dvalue_im)
	Input InterAll Interactions (Operators of the same kinds are grouped together). More...
int	ReadDefFileError (const char *defname)
	Error Function of reading def files. More...
int	ValidateValue (const int icheckValue, const int ilowestValue, const int iHighestValue)
	Function of Validating value. More...
int	CheckKW (const char *cKW, char cKWList[][D_CharTmpReadDef], int iSizeOfKWidx, int *iKWidx)
	Function of Checking keyword in NameList file. More...
int	GetKWWithIdx (char *ctmpLine, char *ctmp, int *itmp)
	Function of Getting keyword and it's variable from characters. More...
int	ReadcalcmodFile (const char *defname, struct DefineList *X)
	Function of Reading calcmod file. More...
int	GetFileName (const char *cFileListNameFile, char **cFileNameList)
	Function of Fitting FileName. More...
int	ReadDefFileNInt (char *xNameListFile, struct DefineList *X, struct BoostList *xBoost)
	Function of reading information about "ModPara" file and total number of parameters from other def files. More...
static int	CheckInterAllHermite (int **InterAll, std::complex< double > *ParaInterAll, int **InterAllOffDiagonal, std::complex< double > *ParaInterAllOffDiagonal, const int NInterAllOffDiagonal, const int iCalcModel)
	function of checking hermite conditions about interall interactions More...
int	GetDiagonalInterAll (int **InterAll, std::complex< double > *ParaInterAll, const int NInterAll, int **InterAllDiagonal, double *ParaInterAllDiagonal, int **InterAllOffDiagonal, std::complex< double > *ParaInterAllOffDiagonal, int *Chemi, int *SpinChemi, double *ParaChemi, int *NChemi, const int iCalcModel)
	function of getting diagonal components More...
static int	CheckTETransferHermite (struct DefineList *X, const int NTETransfer, const int idx)
	Check Hermite for TETransfer integrals. More...
int	ReadDefFileIdxPara (struct DefineList *X, struct BoostList *xBoost)
	function of reading def files to get keyword index More...
int	CheckSite (const int iSite, const int iMaxNum)
	Check Site Number. More...
int	CheckPairSite (const int iSite1, const int iSite2, const int iMaxNum)
	Check Site Number for a pair -> (siteA, siteB). More...
int	CheckQuadSite (const int iSite1, const int iSite2, const int iSite3, const int iSite4, const int iMaxNum)
	Check Site Number for a quad -> (siteA, siteB, siteC, siteD). More...
int	CheckTransferHermite (struct DefineList *X)
	Check Hermite for Transfer integrals. More...
int	JudgeDefType (const int argc, char *argv[], int *mode)
	function of judging a type of define files. More...
int	CheckFormatForSpinInt (const int site1, const int site2, const int site3, const int site4)
	function of checking format of spin interactions More...
int	CheckFormatForKondoInt (const int isite1, const int isite2, const int isite3, const int isite4, int *iLocInfo)
	function of checking format of Kondo interactions More...
void	SetConvergenceFactor (struct DefineList *X)
	function to set convergence factors More...
int	CheckLocSpin (struct DefineList *X)
	function of checking indexies of localized spin More...
void	ResetInteractionNum (struct DefineList *X)
	function of resetting number of interactions More...
void	InitializeInteractionNum (struct DefineList *X)
	function of initializing interactions More...
int	CheckGeneralSpinIndexForInterAll (const int isite1, const int isigma1, const int isite2, const int isigma2, const int isite3, const int isigma3, const int isite4, const int isigma4, int *iLocInfo)
	function of checking spin index for all interactions More...
int	CheckSpinIndexForTrans (struct DefineList *X)
	function of checking spin index for transfers More...
int	CheckTotal2Sz (struct DefineList *X)
	function of checking an input data of total2Sz More...
int	CheckWords (const char *ctmp, const char *cKeyWord)
	function of checking whether ctmp is same as cKeyWord or not More...
int	GetFileNameByKW (int iKWidx, char **FileName)
	function of getting file name labeled by the keyword More...

Variables
static char	cKWListOfFileNameList [][D_CharTmpReadDef]
	Keyword List in NameListFile. More...
int	D_iKWNumDef = sizeof(cKWListOfFileNameList)/sizeof(cKWListOfFileNameList[0])
static char **	cFileNameListFile

Detailed Description

File to define functions of reading input files.

Definition in file readdef.cpp.

Function Documentation

CheckFormatForKondoInt()

int CheckFormatForKondoInt	(	const int	isite1,
		const int	isite2,
		const int	isite3,
		const int	isite4,
		int *	iLocInfo
	)

function of checking format of Kondo interactions

Parameters

isite1	a site number on site1
isite2	a site number on site2
isite3	a site number on site3
isite4	a site number on site4
iLocInfo	An array with the value of S at each site.

Return values

0	format is correct
-1	format is incorrect

Version

0.1

Author

Takahiro Misawa (The University of Tokyo)

Kazuyoshi Yoshimi (The University of Tokyo)

Definition at line 2554 of file readdef.cpp.

References SetConvergenceFactor(), and stdoutMPI.

Referenced by CheckFormatForSpinInt(), and CheckInterAllCondition().

{
  if (iLocInfo[isite1] != ITINERANT || iLocInfo[isite2] != ITINERANT) {
    if (isite1 != isite2) {
      fprintf(stdoutMPI, "Error: Site component of (i, j, k, l) =(%d, %d, %d, %d) is incorrect.\n", isite1, isite2, isite3, isite4);
      return -1;
    }
  }
  if (iLocInfo[isite3] != ITINERANT || iLocInfo[isite4] != ITINERANT) {
    if (isite3 != isite4) {
      fprintf(stdoutMPI, "Error: Site component of (i, j, k, l) =(%d, %d, %d, %d) is incorrect.\n", isite1, isite2, isite3, isite4);
      return -1;
    }
  }
  return 0;
}

CheckFormatForSpinInt()

int CheckFormatForSpinInt	(	const int	site1,
		const int	site2,
		const int	site3,
		const int	site4
	)

function of checking format of spin interactions

Parameters

[in]	site1	a site number on site1.
[in]	site2	a site number on site2.
[in]	site3	a site number on site3.
[in]	site4	a site number on site4.

Return values

0	format is correct
-1	format is incorrect

Version

0.1

Author

Takahiro Misawa (The University of Tokyo)

Kazuyoshi Yoshimi (The University of Tokyo)

Definition at line 2524 of file readdef.cpp.

References CheckFormatForKondoInt(), and stdoutMPI.

Referenced by CheckInterAllCondition(), JudgeDefType(), and ReadDefFileIdxPara().

  {
  if(site1==site2 && site3==site4){
    return 0;
  }

  fprintf(stdoutMPI,
          "Warning: Site component of (i, j, k, l) =(%d, %d, %d, %d) is not correct; i=j and k=l must be satisfied. \n",
          site1, site2, site3, site4);
  return(-1);

}

CheckGeneralSpinIndexForInterAll()

int CheckGeneralSpinIndexForInterAll	(	const int	isite1,
		const int	isigma1,
		const int	isite2,
		const int	isigma2,
		const int	isite3,
		const int	isigma3,
		const int	isite4,
		const int	isigma4,
		int *	iLocInfo
	)

function of checking spin index for all interactions

Parameters

isite1	a site number on site1
isigma1	a spin index on site1
isite2	a site number on site2
isigma2	a spin index on site2
isite3	a site number on site3
isigma3	a spin index on site3
isite4	a site number on site4
isigma4	a spin index on site4
iLocInfo	An array with the value of S at each site.

Return values

TRUE	spin index is correct
FALSE	spin index is incorrect

Version

0.2

Author

Kazuyoshi Yoshimi (The University of Tokyo)

Takahiro Misawa (The University of Tokyo)

Definition at line 2737 of file readdef.cpp.

References CheckSpinIndexForTrans(), and stdoutMPI.

Referenced by CheckInterAllCondition(), and InitializeInteractionNum().

{
   if( isigma1 > iLocInfo[isite1] || isigma2 >iLocInfo[isite2]
         ||isigma3 > iLocInfo[isite3] || isigma4 >iLocInfo[isite4]){
        fprintf(stdoutMPI, "%s", "Error: Spin index is incorrect for interactions defined in InterAll file.\n");
        return FALSE;
    }
  return TRUE;
}

CheckInterAllCondition()

int CheckInterAllCondition	(	int	iCalcModel,
		int	Nsite,
		int	iFlgGeneralSpin,
		int *	iLocInfo,
		int	isite1,
		int	isigma1,
		int	isite2,
		int	isigma2,
		int	isite3,
		int	isigma3,
		int	isite4,
		int	isigma4
	)

Check InterAll condition.

Parameters

[in]	iCalcModel	Target Model defined in CalcMod file (ex. Spin, SpinGC etc.).
[in]	Nsite	A total number of site.
[in]	iFlgGeneralSpin	Flag for general spin (TRUE: General Spin, FALSE: Spin-1/2).
[in]	iLocInfo	An array with the value of S at each site
[in]	isite1	a site number on the site A.
[in]	isigma1	a spin index on the site A.
[in]	isite2	a site number on the site B.
[in]	isigma2	a spin index on the site B.
[in]	isite3	a site number on the site C.
[in]	isigma3	a spin index on the site C.
[in]	isite4	a site number on the site D.
[in]	isigma4	a spin index on the site D.

Return values

0	normally finished reading file.
-1	unnormally finished reading file.

Version

2.2

Author

Kazuyoshi Yoshimi (The University of Tokyo)

Definition at line 2884 of file readdef.cpp.

References CheckFormatForKondoInt(), CheckFormatForSpinInt(), CheckGeneralSpinIndexForInterAll(), and CheckQuadSite().

Referenced by ReadDefFileIdxPara().

 {
  if(CheckQuadSite(isite1, isite2, isite3, isite4, Nsite) !=0){
    fprintf(stderr, "%s", "Error: Site index of InterAll is incorrect.\n");
    return(-1);
  }

  if(iCalcModel == Spin || iCalcModel ==SpinGC){
    if(CheckFormatForSpinInt(isite1, isite2, isite3, isite4)!=0){
      fprintf(stderr, "%s", "Error: Spin index of InterAll is incorrect.\n");
      return(-1);
    }
  }
  else if(iCalcModel == SpinlessFermion || iCalcModel==SpinlessFermionGC){
    if(isigma1 !=0 || isigma2 != 0 || isigma3 != 0 || isigma4 !=0){
      fprintf(stderr, "%s", "Error: Spin index of InterAll is incorrect.\n");
      return -1;
    }
  }
  else if(iCalcModel == Kondo){
    if(CheckFormatForKondoInt(isite1, isite2, isite3, isite4, iLocInfo)!=0){
      return -1;
    }
  }

  if(iFlgGeneralSpin ==TRUE) {
    if(CheckGeneralSpinIndexForInterAll(isite1, isigma1, isite2, isigma2, isite3, isigma3, isite4, isigma4, iLocInfo)!=TRUE){
      return -1;
    }
  }
  return 0;
}

CheckInterAllHermite()

static int CheckInterAllHermite ( int **  InterAll, std::complex< double > *  ParaInterAll, int **  InterAllOffDiagonal, std::complex< double > *  ParaInterAllOffDiagonal, const int  NInterAllOffDiagonal, const int  iCalcModel  )

static

function of checking hermite conditions about interall interactions

Parameters

InterAll	arrays of information of interall interactions
ParaInterAll	arrays of values of interall interactions
InterAllOffDiagonal	arrays of information of off-diagonal part of interall interactions
ParaInterAllOffDiagonal	arrays of values of off-diagonal part of interall interactions
NInterAllOffDiagonal	total number of off-diagonal part of interall interactions
iCalcModel	Target Model defined in CalcMod file (ex. Spin, SpinGC etc.)

Return values

0	Hermite condition is satisfied
-1	Hermite condition is not satisfied

Version

0.2

rearray a InterAll_OffDiagonal array to satisfy a condition of hermite conjugation between 2*i and 2*i+1 components.

Version

0.1

Author

Takahiro Misawa (The University of Tokyo)

Kazuyoshi Yoshimi (The University of Tokyo)

Definition at line 982 of file readdef.cpp.

References eps_CheckImag0, GetDiagonalInterAll(), and stdoutMPI.

Referenced by ReadDefFileIdxPara(), and ReadDefFileNInt().

  {
  int i, j, icntincorrect, itmpret;
  int isite1, isite2, isite3, isite4;
  int isigma1, isigma2, isigma3, isigma4;
  int itmpsite1, itmpsite2, itmpsite3, itmpsite4;
  int itmpsigma1, itmpsigma2, itmpsigma3, itmpsigma4;
  int itmpIdx, icntHermite;
  int icheckHermiteCount = FALSE;
  std::complex<double> ddiff_intall;
  icntincorrect = 0;
  icntHermite = 0;
  for (i = 0; i < NInterAllOffDiagonal; i++) {
    itmpret = 0;
    isite1 = InterAllOffDiagonal[i][0];
    isigma1 = InterAllOffDiagonal[i][1];
    isite2 = InterAllOffDiagonal[i][2];
    isigma2 = InterAllOffDiagonal[i][3];
    isite3 = InterAllOffDiagonal[i][4];
    isigma3 = InterAllOffDiagonal[i][5];
    isite4 = InterAllOffDiagonal[i][6];
    isigma4 = InterAllOffDiagonal[i][7];
    icheckHermiteCount = FALSE;

    for (j = 0; j < NInterAllOffDiagonal; j++) {
      itmpsite1 = InterAllOffDiagonal[j][0];
      itmpsigma1 = InterAllOffDiagonal[j][1];
      itmpsite2 = InterAllOffDiagonal[j][2];
      itmpsigma2 = InterAllOffDiagonal[j][3];
      itmpsite3 = InterAllOffDiagonal[j][4];
      itmpsigma3 = InterAllOffDiagonal[j][5];
      itmpsite4 = InterAllOffDiagonal[j][6];
      itmpsigma4 = InterAllOffDiagonal[j][7];

      if (isite1 == itmpsite4 && isite2 == itmpsite3 && isite3 == itmpsite2 && isite4 == itmpsite1) {
        if (isigma1 == itmpsigma4 && isigma2 == itmpsigma3 && isigma3 == itmpsigma2 && isigma4 == itmpsigma1) {
          ddiff_intall = abs(ParaInterAllOffDiagonal[i] - conj(ParaInterAllOffDiagonal[j]));

          if (abs(ddiff_intall) < eps_CheckImag0) {
            itmpret = 1;
            if (icheckHermiteCount == FALSE) {
              icheckHermiteCount = TRUE; //for not double counting
              if (i <= j) {
                if (2 * icntHermite >= NInterAllOffDiagonal) {
                  fprintf(stdoutMPI, "Elements of InterAll are incorrect.\n");
                  return (-1);
                }

                for (itmpIdx = 0; itmpIdx < 8; itmpIdx++) {
                  InterAll[2 * icntHermite][itmpIdx] = InterAllOffDiagonal[i][itmpIdx];
                  InterAll[2 * icntHermite + 1][itmpIdx] = InterAllOffDiagonal[j][itmpIdx];
                }

                ParaInterAll[2 * icntHermite] = ParaInterAllOffDiagonal[i];
                ParaInterAll[2 * icntHermite + 1] = ParaInterAllOffDiagonal[j];
                icntHermite++;
              }
              break;
            }
          }
        }
      }
      else if (isite1 == itmpsite2 && isite2 == itmpsite1 && isite3 == itmpsite4 &&
        isite4 == itmpsite3) {      //for spin and Kondo
        if (iCalcModel == Kondo || iCalcModel == KondoGC || iCalcModel == Spin || iCalcModel == SpinGC) {
          if (isigma1 == itmpsigma2 && isigma2 == itmpsigma1 && isigma3 == itmpsigma4 && isigma4 == itmpsigma3) {
            ddiff_intall = ParaInterAllOffDiagonal[i] - conj(ParaInterAllOffDiagonal[j]);
            if (abs(ddiff_intall) < eps_CheckImag0) {
              itmpret = 1;
              if (icheckHermiteCount == FALSE) {
                icheckHermiteCount = TRUE; // for not double-counting
                if (i <= j) {
                  if (2 * icntHermite >= NInterAllOffDiagonal) {
                    fprintf(stdoutMPI, "Elements of InterAll are incorrect.\n");
                    return (-1);
                  }
                  for (itmpIdx = 0; itmpIdx < 8; itmpIdx++) {
                    InterAll[2 * icntHermite][itmpIdx] = InterAllOffDiagonal[i][itmpIdx];
                  }
                  for (itmpIdx = 0; itmpIdx < 4; itmpIdx++) {
                    InterAll[2 * icntHermite + 1][2 * itmpIdx] = InterAllOffDiagonal[i][6 -
                      2 *
                      itmpIdx];
                    InterAll[2 * icntHermite + 1][2 * itmpIdx + 1] = InterAllOffDiagonal[i][7 - 2 *
                      itmpIdx];

                  }
                  ParaInterAll[2 * icntHermite] = ParaInterAllOffDiagonal[i];
                  ParaInterAll[2 * icntHermite + 1] = ParaInterAllOffDiagonal[j];
                  icntHermite++;
                }
                break;
              }
            }
          }
        }
      }
    }
    //if counterpart for satisfying hermite conjugate does not exist.
    if (itmpret != 1) {
      fprintf(stdoutMPI, "Error: NonHermite (i, spni, j, spnj, k, spnk, l, spnl) = (%d, %d, %d, %d, %d, %d, %d, %d), InterAll_re= %lf, InterAll_im= %lf . \n", isite1, isigma1, isite2, isigma2, isite3, isigma3, isite4, isigma4,
        real(ParaInterAllOffDiagonal[i]), imag(ParaInterAllOffDiagonal[i]));
      icntincorrect++;
    }
  }

  if (icntincorrect != 0) {
    return (-1);
  }

  for (i = 0; i < NInterAllOffDiagonal; i++) {
    for (itmpIdx = 0; itmpIdx < 8; itmpIdx++) {
      InterAllOffDiagonal[i][itmpIdx] = InterAll[i][itmpIdx];
    }
    ParaInterAllOffDiagonal[i] = ParaInterAll[i];
  }

  return 0;
}/*CheckInterAllHermite*/

CheckKW()

int CheckKW	(	const char *	cKW,
		char	cKWList[][D_CharTmpReadDef],
		int	iSizeOfKWidx,
		int *	iKWidx
	)

Function of Checking keyword in NameList file.

Parameters

[in]	cKW	keyword candidate
[in]	cKWList	Reffercnce of keyword List
[in]	iSizeOfKWidx	number of keyword
[out]	iKWidx	index of keyword

Return values

0	keyword is correct.
-1	keyword is incorrect.

Version

0.1

Author

Takahiro Misawa (The University of Tokyo)

Kazuyoshi Yoshimi (The University of Tokyo)

Definition at line 139 of file readdef.cpp.

References CheckWords().

Referenced by GetFileName().

             {
  *iKWidx=-1;
  int itmpKWidx;
  int iret=-1;
  for(itmpKWidx=0; itmpKWidx<iSizeOfKWidx; itmpKWidx++){
    if(strcmp(cKW,"")==0){
      break;
    }
    else if(CheckWords(cKW, cKWList[itmpKWidx])==0){
      iret=0;
      *iKWidx=itmpKWidx;
    }
  }
  return iret;
}

CheckLocSpin()

int CheckLocSpin

(

struct DefineList *

X

)

function of checking indexies of localized spin

Parameters

[in,out]

X

Define list to get and put information of localized spin

Returns

TURE Indecies of localizes spin is correct

FALSE Indecies of localizes spin is incorrect

Version

0.2

Author

Kazuyoshi Yoshimi (The University of Tokyo)

Takahiro Misawa (The University of Tokyo)

Definition at line 2610 of file readdef.cpp.

References CheckTotal2Sz(), DefineList::iCalcModel, DefineList::iFlgGeneralSpin, DefineList::LocSpn, DefineList::Nsite, and ResetInteractionNum().

Referenced by ReadDefFileIdxPara(), and SetConvergenceFactor().

{

  int i=0;
  switch(X->iCalcModel){
  case Hubbard:
  case HubbardNConserved:
  case HubbardGC:
  case SpinlessFermion:
  case SpinlessFermionGC:
    for(i=0; i<X->Nsite; i++){
      if(X->LocSpn[i]!=ITINERANT){
        return FALSE;
      }
    }
    break;

  case Kondo:
  case KondoGC:
    for(i=0; i<X->Nsite; i++){
      if(X->LocSpn[i]>LOCSPIN){
        X->iFlgGeneralSpin=TRUE;
      }
      else if(X->LocSpn[i]<ITINERANT){
        return FALSE;
      }
    }
    break;

  case Spin:
  case SpinGC:
    for(i=0; i<X->Nsite; i++){
      if(X->LocSpn[i]>LOCSPIN){
        X->iFlgGeneralSpin=TRUE;
      }
      else if(X->LocSpn[i]<LOCSPIN){
        return FALSE;
      }
    }
    break;
  
  default:
    return FALSE;
    //break;
  }

  if(CheckTotal2Sz(X) != TRUE){
    return FALSE;
  }
  return TRUE;
}  

CheckPairSite()

int CheckPairSite	(	const int	iSite1,
		const int	iSite2,
		const int	iMaxNum
	)

Check Site Number for a pair -> (siteA, siteB).

Parameters

[in]	iSite1	a site number on a site A.
[in]	iSite2	a site number on a site B.
[in]	iMaxNum	Max site number.

Return values

0	normally finished reading file.
-1	unnormally finished reading file.

Version

0.1

Author

Takahiro Misawa (The University of Tokyo)

Kazuyoshi Yoshimi (The University of Tokyo)

Definition at line 2282 of file readdef.cpp.

References CheckSite().

Referenced by CheckQuadSite(), and ReadDefFileIdxPara().

{
  if(CheckSite(iSite1, iMaxNum)!=0){
    return(-1);
  }
  if(CheckSite(iSite2, iMaxNum)!=0){
    return(-1);
  }
  return 0;
}

CheckQuadSite()

int CheckQuadSite	(	const int	iSite1,
		const int	iSite2,
		const int	iSite3,
		const int	iSite4,
		const int	iMaxNum
	)

Check Site Number for a quad -> (siteA, siteB, siteC, siteD).

Parameters

[in]	iSite1	a site number on site A.
[in]	iSite2	a site number on site B.
[in]	iSite3	a site number on site C.
[in]	iSite4	a site number on site D.
[in]	iMaxNum	Max site number.

Return values

0	normally finished reading file.
-1	unnormally finished reading file.

Version

0.1

Author

Takahiro Misawa (The University of Tokyo)

Kazuyoshi Yoshimi (The University of Tokyo)

Definition at line 2310 of file readdef.cpp.

References CheckPairSite(), and CheckTransferHermite().

Referenced by CheckInterAllCondition(), and ReadDefFileIdxPara().

{
  if(CheckPairSite(iSite1, iSite2, iMaxNum)!=0){
    return(-1);
  }
  if(CheckPairSite(iSite3, iSite4, iMaxNum)!=0){
    return(-1);
  }
  return 0;
}

CheckSite()

int CheckSite	(	const int	iSite,
		const int	iMaxNum
	)

Check Site Number.

Parameters

[in]	iSite	a site number.
[in]	iMaxNum	Max site number.

Return values

0	normally finished reading file.
-1	unnormally finished reading file.

Version

0.1

Author

Takahiro Misawa (The University of Tokyo)

Kazuyoshi Yoshimi (The University of Tokyo)

Definition at line 2263 of file readdef.cpp.

Referenced by CheckPairSite(), and ReadDefFileIdxPara().

{
  if (iSite >= iMaxNum) return(-1);
  return 0;
}

CheckSpinIndexForTrans()

int CheckSpinIndexForTrans

(

struct DefineList *

X

)

function of checking spin index for transfers

Parameters

[in]

X

Define list to get informations of transfers

Return values

TRUE	spin index is correct
FALSE	spin index is incorrect

Version

0.2

Author

Kazuyoshi Yoshimi (The University of Tokyo)

Takahiro Misawa (The University of Tokyo)

Definition at line 2764 of file readdef.cpp.

References CheckTotal2Sz(), DefineList::GeneralTransfer, DefineList::iFlgGeneralSpin, DefineList::LocSpn, DefineList::NTransfer, and stdoutMPI.

Referenced by CheckGeneralSpinIndexForInterAll(), and ReadDefFileIdxPara().

{
  int i=0;
  int isite1, isite2;
  int isigma1, isigma2;
  if(X->iFlgGeneralSpin==TRUE){
    for(i=0; i<X->NTransfer; i++){
      isite1 =X->GeneralTransfer[i][0];
      isigma1=X->GeneralTransfer[i][1];
      isite2 =X->GeneralTransfer[i][2];
      isigma2=X->GeneralTransfer[i][3];
      if(isigma1 > X->LocSpn[isite1] || isigma2 >X->LocSpn[isite2]){
        fprintf(stdoutMPI, "%s", "Error: Spin index is incorrect for transfers defined in Trans file.\n");
        return FALSE;
      }
    }
  }
  return TRUE;
}

CheckTETransferHermite()

static int CheckTETransferHermite ( struct DefineList *  X, const int  NTETransfer, const int  idx  )

static

Check Hermite for TETransfer integrals.

Parameters

[in]	X	Define List for getting transfer integrals.
[in]	NTETransfer	total number of transfer integrals
[in]	idx	index for time step.

Return values

0	Hermite.
-1	NonHermite.

Definition at line 1269 of file readdef.cpp.

References eps_CheckImag0, DefineList::NTETransfer, DefineList::NTETransferDiagonal, DefineList::ParaTETransfer, DefineList::ParaTETransferDiagonal, stdoutMPI, DefineList::TETransfer, and DefineList::TETransferDiagonal.

Referenced by GetDiagonalInterAll(), and ReadDefFileIdxPara().

{
  int i, j;
  int isite1, isite2;
  int isigma1, isigma2;
  int itmpsite1, itmpsite2;
  int itmpsigma1, itmpsigma2;
  int itmperrsite1, itmperrsite2;
  int itmperrsigma1, itmperrsigma2;
  std::complex<double> dcerrTrans;
  int icheckHermiteCount;
  int iCount = 0;

  std::complex<double> ddiff_trans;
  int itmpIdx, icntHermite, icntchemi;
  icntHermite = 0;
  icntchemi = 0;

  int** tmp_TETransfer = i_2d_allocate(NTETransfer, 4);
  std::complex<double>*tmp_paraTETransfer = (std::complex<double>*)malloc((NTETransfer) * sizeof(std::complex<double>));

  //copy
  for (i = 0; i < NTETransfer; i++) {
    for (j = 0; j < 4; j++) {
      tmp_TETransfer[i][j] = X->TETransfer[idx][i][j];
      X->TETransfer[idx][i][j] = 0;
    }
    tmp_paraTETransfer[i] = X->ParaTETransfer[idx][i];
    X->ParaTETransfer[idx][i] = 0.0;
  }

  for (i = 0; i < NTETransfer; i++) {
    isite1 = tmp_TETransfer[i][0];
    isigma1 = tmp_TETransfer[i][1];
    isite2 = tmp_TETransfer[i][2];
    isigma2 = tmp_TETransfer[i][3];
    icheckHermiteCount = FALSE;
    for (j = 0; j < NTETransfer; j++) {
      itmpsite1 = tmp_TETransfer[j][0];
      itmpsigma1 = tmp_TETransfer[j][1];
      itmpsite2 = tmp_TETransfer[j][2];
      itmpsigma2 = tmp_TETransfer[j][3];
      if (isite1 == itmpsite2 && isite2 == itmpsite1) {
        if (isigma1 == itmpsigma2 && isigma2 == itmpsigma1) {

          ddiff_trans = tmp_paraTETransfer[i] - conj(tmp_paraTETransfer[j]);
          if (abs(ddiff_trans) > eps_CheckImag0) {
            itmperrsite1 = itmpsite1;
            itmperrsigma1 = itmpsigma1;
            itmperrsite2 = itmpsite2;
            itmperrsigma2 = itmpsigma2;
            dcerrTrans = tmp_paraTETransfer[j];
            fprintf(stdoutMPI, 
              "Error: NonHermite (i, spni, j, spnj) = (%d,  %d, %d, %d), trans_re= %lf, trans_im= %lf.\n", 
              isite1, isigma1, isite2, isigma2, real(tmp_paraTETransfer[i]), imag(tmp_paraTETransfer[i]));
            fprintf(stdoutMPI,
              "Error: NonHermite (i, spni, j, spnj) = (%d,  %d, %d, %d), trans_re= %lf, trans_im= %lf.\n",
              itmperrsite1, itmperrsigma1, itmperrsite2, itmperrsigma2, real(dcerrTrans), imag(dcerrTrans));
            iCount++;
          }
          else {
            if (icheckHermiteCount == FALSE) {
              if (i <= j) {
                if (2 * icntHermite >= NTETransfer) {
                  fprintf(stderr, "Elements of Transfers are incorrect.\n");
                  return(-1);
                }
                if (isite1 != isite2 || isigma1 != isigma2) {
                  for (itmpIdx = 0; itmpIdx < 4; itmpIdx++) {
                    X->TETransfer[idx][2 * icntHermite][itmpIdx] = tmp_TETransfer[i][itmpIdx];
                    X->TETransfer[idx][2 * icntHermite + 1][itmpIdx] = tmp_TETransfer[j][itmpIdx];
                  }
                  X->ParaTETransfer[idx][2 * icntHermite] = tmp_paraTETransfer[i];
                  X->ParaTETransfer[idx][2 * icntHermite + 1] = tmp_paraTETransfer[j];
                  icntHermite++;
                }
                else {
                  X->TETransferDiagonal[idx][icntchemi][0] = tmp_TETransfer[i][0];
                  X->TETransferDiagonal[idx][icntchemi][1] = tmp_TETransfer[i][1];
                  X->ParaTETransferDiagonal[idx][icntchemi] = real(tmp_paraTETransfer[i]);
                  icntchemi += 1;
                }
              }
              icheckHermiteCount = TRUE;
            }
          }
        }
      }
    }

    //if counterpart for satisfying hermite conjugate does not exist.
    if (icheckHermiteCount == FALSE) {
      fprintf(stdoutMPI,
        "Error: NonHermite (i, spni, j, spnj) = (%d,  %d, %d, %d), trans_re= %lf, trans_im= %lf.\n",
        isite1, isigma1, isite2, isigma2, 
        real(tmp_paraTETransfer[i]), imag(tmp_paraTETransfer[i]));
      iCount++;
      //fprintf(stdoutMPI, "Error: NonHermite (i, spni, j, spnj) = (%d,  %d, %d, %d), trans_re= %lf, trans_im= %lf.\n", itmperrsite1, itmperrsigma1, itmperrsite2, itmperrsigma2, real(dcerrTrans), imag(dcerrTrans));
      //return(-1);
    }
  }

  if (iCount != 0) {
    return -1;
  }

  X->NTETransfer[idx] = 2 * icntHermite;
  X->NTETransferDiagonal[idx] = icntchemi;


  free_i_2d_allocate(tmp_TETransfer);
  free(tmp_paraTETransfer);
  return 0;
}/*CheckTETransferHermite*/

CheckTotal2Sz()

int CheckTotal2Sz

(

struct DefineList *

X

)

function of checking an input data of total2Sz

Parameters

[in]

X

Define list to get informations of transfers

Return values

TRUE	spin index is correct
FALSE	spin index is incorrect

Version

0.2

Author

Kazuyoshi Yoshimi (The University of Tokyo)

Takahiro Misawa (The University of Tokyo)

Definition at line 2797 of file readdef.cpp.

References DefineList::iFlgGeneralSpin, DefineList::iFlgSzConserved, DefineList::NCond, DefineList::Ndown, DefineList::NLocSpn, DefineList::Nup, stdoutMPI, and DefineList::Total2Sz.

Referenced by CheckLocSpin(), and CheckSpinIndexForTrans().

{
  if(X->iFlgSzConserved==TRUE && X->iFlgGeneralSpin==FALSE){
    int tmp_Nup=X->NLocSpn+X->NCond+X->Total2Sz;
    int tmp_Ndown=X->NLocSpn+X->NCond-X->Total2Sz;
    if(tmp_Nup%2 != 0 && tmp_Ndown%2 !=0){
      printf("Nup=%d, Ndown=%d\n",X->Nup,X->Ndown);
      fprintf(stdoutMPI, "2Sz is incorrect.\n");
      return FALSE;
    }
  }
  return TRUE;
}

CheckTransferHermite()

int CheckTransferHermite

(

struct DefineList *

X

)

Check Hermite for Transfer integrals.

Parameters

[in]

X

Define List for getting transfer integrals.

Return values

0	Hermite.
-1	NonHermite.

Version

0.2

rearray a GeneralTransfer array to satisfy a condition of hermite conjugation between 2*i and 2*i+1 components.

Version

0.1

Author

Takahiro Misawa (The University of Tokyo)

Kazuyoshi Yoshimi (The University of Tokyo)

Definition at line 2339 of file readdef.cpp.

References DefineList::EDChemi, DefineList::EDGeneralTransfer, DefineList::EDNChemi, DefineList::EDNTransfer, DefineList::EDParaChemi, DefineList::EDParaGeneralTransfer, DefineList::EDSpinChemi, eps_CheckImag0, DefineList::GeneralTransfer, JudgeDefType(), DefineList::NTransfer, DefineList::ParaGeneralTransfer, and stdoutMPI.

Referenced by CheckQuadSite(), and ReadDefFileIdxPara().

{
  int i, j;
  int isite1, isite2;
  int isigma1, isigma2;
  int itmpsite1, itmpsite2;
  int itmpsigma1, itmpsigma2;
  int itmperrsite1, itmperrsite2;
  int itmperrsigma1, itmperrsigma2;
  std::complex<double> dcerrTrans;
  int icheckHermiteCount = FALSE;
  int iCount = 0;

  std::complex<double> ddiff_trans;
  int itmpIdx, icntHermite, icntchemi;
  icntHermite = 0;
  icntchemi = 0;

  for (i = 0; i < X->NTransfer; i++) {
    isite1 = X->GeneralTransfer[i][0];
    isigma1 = X->GeneralTransfer[i][1];
    isite2 = X->GeneralTransfer[i][2];
    isigma2 = X->GeneralTransfer[i][3];
    icheckHermiteCount = FALSE;
    for (j = 0; j < X->NTransfer; j++) {
      itmpsite1 = X->GeneralTransfer[j][0];
      itmpsigma1 = X->GeneralTransfer[j][1];
      itmpsite2 = X->GeneralTransfer[j][2];
      itmpsigma2 = X->GeneralTransfer[j][3];
      if (isite1 == itmpsite2 && isite2 == itmpsite1) {
        if (isigma1 == itmpsigma2 && isigma2 == itmpsigma1) {

          ddiff_trans = X->ParaGeneralTransfer[i] - conj(X->ParaGeneralTransfer[j]);
          if (abs(ddiff_trans) > eps_CheckImag0) {
            itmperrsite1 = itmpsite1;
            itmperrsigma1 = itmpsigma1;
            itmperrsite2 = itmpsite2;
            itmperrsigma2 = itmpsigma2;
            dcerrTrans = X->ParaGeneralTransfer[j];
            fprintf(stdoutMPI, "Error: NonHermite (i, spni, j, spnj) = (%d,  %d, %d, %d), trans_re= %lf, trans_im= %lf.\n",
              isite1, isigma1, isite2, isigma2, real(X->ParaGeneralTransfer[i]), imag(X->ParaGeneralTransfer[i]));
            fprintf(stdoutMPI, "Error: NonHermite (i, spni, j, spnj) = (%d,  %d, %d, %d), trans_re= %lf, trans_im= %lf.\n", 
              itmperrsite1, itmperrsigma1, itmperrsite2, itmperrsigma2, real(dcerrTrans), imag(dcerrTrans));
            iCount++;
          }
          else {
            if (icheckHermiteCount == FALSE) {
              if (i <= j) {
                if (2 * icntHermite >= X->NTransfer) {
                  fprintf(stderr, "Elements of Transfers are incorrect.\n");
                  return(-1);
                }
                if (isite1 != isite2 || isigma1 != isigma2) {
                  for (itmpIdx = 0; itmpIdx < 4; itmpIdx++) {
                    X->EDGeneralTransfer[2 * icntHermite][itmpIdx] = X->GeneralTransfer[i][itmpIdx];
                    X->EDGeneralTransfer[2 * icntHermite + 1][itmpIdx] = X->GeneralTransfer[j][itmpIdx];
                  }
                  X->EDParaGeneralTransfer[2 * icntHermite] = X->ParaGeneralTransfer[i];
                  X->EDParaGeneralTransfer[2 * icntHermite + 1] = X->ParaGeneralTransfer[j];
                  icntHermite++;
                }
                else {
                  X->EDChemi[icntchemi] = X->GeneralTransfer[i][0];
                  X->EDSpinChemi[icntchemi] = X->GeneralTransfer[i][1];
                  X->EDParaChemi[icntchemi] = real(X->ParaGeneralTransfer[i]);
                  icntchemi += 1;
                }
              }
              icheckHermiteCount = TRUE;
            }
          }
        }

      }
    }

    //if counterpart for satisfying hermite conjugate does not exist.
    if (icheckHermiteCount == FALSE) {
      fprintf(stdoutMPI, "Error: NonHermite (i, spni, j, spnj) = (%d,  %d, %d, %d), trans_re= %lf, trans_im= %lf.\n", isite1, isigma1, isite2, isigma2, real(X->ParaGeneralTransfer[i]), imag(X->ParaGeneralTransfer[i]));
      iCount++;
    }
  }

  if (iCount != 0) {
    return -1;
  }
  X->EDNTransfer = 2 * icntHermite;
  X->EDNChemi = icntchemi;

  //To realize ido-san's result
  for (i = 0; i < X->EDNTransfer; i++) {
    for (itmpIdx = 0; itmpIdx < 4; itmpIdx++) {
      X->GeneralTransfer[i][itmpIdx] = X->EDGeneralTransfer[i][itmpIdx];
    }
    X->ParaGeneralTransfer[i] = X->EDParaGeneralTransfer[i];
  }
  return 0;
}

CheckWords()

int CheckWords	(	const char *	ctmp,
		const char *	cKeyWord
	)

function of checking whether ctmp is same as cKeyWord or not

Parameters

[in]	ctmp	A word to be checked whether it matches the registerd keyword or not.
[in]	cKeyWord	Registered keyword name

Returns

0 ctmp is same as cKeyWord

Version

1.1.0

Author

Kazuyoshi Yoshimi (The University of Tokyo)

Definition at line 2824 of file readdef.cpp.

Referenced by CheckKW(), JudgeDefType(), ReadcalcmodFile(), and ReadDefFileNInt().

{
  int i = 0;
  char ctmp_small[256] = { 0 };
  char cKW_small[256] = { 0 };
  int NcKeyWord, Nctmp;
  NcKeyWord = strlen(cKeyWord);
  strncpy(cKW_small, cKeyWord, NcKeyWord);

  for (i = 0; i < NcKeyWord; i++) {
    cKW_small[i] = tolower(cKW_small[i]);
  }
  Nctmp = strlen(ctmp);
  strncpy(ctmp_small, ctmp, Nctmp);
  for (i = 0; i < Nctmp; i++) {
    ctmp_small[i] = tolower(ctmp_small[i]);
  }
  if (Nctmp < NcKeyWord) Nctmp = NcKeyWord;
  return(strncmp(ctmp_small, cKW_small, Nctmp));
}

GetDiagonalInterAll()

int GetDiagonalInterAll	(	int **	InterAll,
		std::complex< double > *	ParaInterAll,
		const int	NInterAll,
		int **	InterAllDiagonal,
		double *	ParaInterAllDiagonal,
		int **	InterAllOffDiagonal,
		std::complex< double > *	ParaInterAllOffDiagonal,
		int *	Chemi,
		int *	SpinChemi,
		double *	ParaChemi,
		int *	NChemi,
		const int	iCalcModel
	)

function of getting diagonal components

Parameters

InterAll	arrays of information of interall interactions
ParaInterAll	arrays of values of interall interactions
NInterAll	total number of interall interactions
InterAllDiagonal	arrays of information of diagonal part of interall interactions
ParaInterAllDiagonal	arrays of values of diagonal part of interall interactions
InterAllOffDiagonal	arrays of information of off-diagonal part of interall interactions
ParaInterAllOffDiagonal	arrays of values of off-diagonal part of interall interactions
Chemi	arrays of the site of chemical potential
SpinChemi	arrays of the spin of chemical potential
ParaChemi	arrays of the value of chemical potential
NChemi	total number of chemical potential
iCalcModel	Target Model defined in CalcMod file (ex. Spin, SpinGC etc.)

Return values

0	succeed to get diagonal interactions.
-1	format of interall interactions is incorrect.

Version

2.1

Author

Kazuyoshi Yoshimi (The University of Tokyo)

Definition at line 1125 of file readdef.cpp.

References CheckTETransferHermite(), and stdoutMPI.

Referenced by CheckInterAllHermite(), and ReadDefFileIdxPara().

{
  int i, icnt_diagonal, icnt_offdiagonal, tmp_i;
  int isite1, isite2, isite3, isite4;
  int isigma1, isigma2, isigma3, isigma4;
  int iret = 0;
  icnt_diagonal = 0;
  icnt_offdiagonal = 0;

  for (i = 0; i < NInterAll; i++) {
    isite1 = InterAll[i][0];
    isigma1 = InterAll[i][1];
    isite2 = InterAll[i][2];
    isigma2 = InterAll[i][3];
    isite3 = InterAll[i][4];
    isigma3 = InterAll[i][5];
    isite4 = InterAll[i][6];
    isigma4 = InterAll[i][7];

    //Get Diagonal term
    if (isite1 == isite2 && isite3 == isite4 &&
      isigma1 == isigma2 && isigma3 == isigma4)
    {
      InterAllDiagonal[icnt_diagonal][0] = isite1;
      InterAllDiagonal[icnt_diagonal][1] = isigma1;
      InterAllDiagonal[icnt_diagonal][2] = isite3;
      InterAllDiagonal[icnt_diagonal][3] = isigma3;
      ParaInterAllDiagonal[icnt_diagonal] = real(ParaInterAll[i]);
      icnt_diagonal++;
      continue;
    }
    else if (isite1 == isite4 && isite2 == isite3 &&
      isigma1 == isigma4 && isigma2 == isigma3)
    {
      InterAllDiagonal[icnt_diagonal][0] = isite1;
      InterAllDiagonal[icnt_diagonal][1] = isigma1;
      InterAllDiagonal[icnt_diagonal][2] = isite2;
      InterAllDiagonal[icnt_diagonal][3] = isigma2;
      ParaInterAllDiagonal[icnt_diagonal] = -real(ParaInterAll[i]);
      Chemi[*NChemi] = isite1;
      SpinChemi[*NChemi] = isigma1;
      //transfer integral has minus sign for default setting
      ParaChemi[*NChemi] = -real(ParaInterAll[i]);
      icnt_diagonal++;
      *NChemi += 1;
      continue;
    }
    else {
      //Get Off-Diagonal term
      switch (iCalcModel) {
      case Hubbard:
      case HubbardNConserved:
      case Kondo:
      case KondoGC:
      case HubbardGC:
        if (isigma1 == isigma2 && isigma3 == isigma4) {
          for (tmp_i = 0; tmp_i < 8; tmp_i++) {
            InterAllOffDiagonal[icnt_offdiagonal][tmp_i] = InterAll[i][tmp_i];
          }
          ParaInterAllOffDiagonal[icnt_offdiagonal] = ParaInterAll[i];
        }
        else if (isigma1 == isigma4 && isigma2 == isigma3) {
          InterAllOffDiagonal[icnt_offdiagonal][0] = isite1;
          InterAllOffDiagonal[icnt_offdiagonal][1] = isigma1;
          InterAllOffDiagonal[icnt_offdiagonal][2] = isite4;
          InterAllOffDiagonal[icnt_offdiagonal][3] = isigma1;
          InterAllOffDiagonal[icnt_offdiagonal][4] = isite3;
          InterAllOffDiagonal[icnt_offdiagonal][5] = isigma2;
          InterAllOffDiagonal[icnt_offdiagonal][6] = isite2;
          InterAllOffDiagonal[icnt_offdiagonal][7] = isigma2;
          ParaInterAllOffDiagonal[icnt_offdiagonal] = -ParaInterAll[i];
        }
        else {
          // Sz symmetry is assumed
          if (iCalcModel == Hubbard || iCalcModel == Kondo) {
            fprintf(stdoutMPI, 
              "Error: This operator breaks Sz Symmetry (i, spni, j, spnj, k, spnk, l, spnl) = (%d, %d, %d, %d, %d, %d, %d, %d), InterAll_re= %lf, InterAll_im= %lf . \n",
              isite1,
              isigma1,
              isite2,
              isigma2,
              isite3,
              isigma3,
              isite4,
              isigma4,
              real(ParaInterAll[i]),
              imag(ParaInterAll[i])
            );
            iret = -1;
          }
          else {
            for (tmp_i = 0; tmp_i < 8; tmp_i++) {
              InterAllOffDiagonal[icnt_offdiagonal][tmp_i] = InterAll[i][tmp_i];
            }
            ParaInterAllOffDiagonal[icnt_offdiagonal] = ParaInterAll[i];
          }
        }
        break;
      case Spin:
      case SpinGC:
        if (isite1 == isite2 && isite3 == isite4) {
          for (tmp_i = 0; tmp_i < 8; tmp_i++) {
            InterAllOffDiagonal[icnt_offdiagonal][tmp_i] = InterAll[i][tmp_i];
          }
          ParaInterAllOffDiagonal[icnt_offdiagonal] = ParaInterAll[i];
        }
        break;
      default:
        return(-1);
      }
      if (iret != -1) {
        icnt_offdiagonal++;
      }
    }

    if (iret != 0) {
      return(-1);
    }
  }

  return 0;
}/*GetDiagonalInterAll*/

GetFileName()

int GetFileName	(	const char *	cFileListNameFile,
		char **	cFileNameList
	)

Function of Fitting FileName.

Parameters

[in]	cFileListNameFile	file for getting names of input files.
[out]	cFileNameList	arrays for getting names of input files.

Return values

0	normally finished reading file.
-1	unnormally finished reading file.

Version

0.1

Author

Takahiro Misawa (The University of Tokyo)

Kazuyoshi Yoshimi (The University of Tokyo)

Definition at line 389 of file readdef.cpp.

References CheckKW(), cKWListOfFileNameList, D_iKWNumDef, fgetsMPI(), fopenMPI(), ReadDefFileError(), and stdoutMPI.

Referenced by ReadDefFileNInt().

{
  FILE *fplist;
  int itmpKWidx=-1;
  char ctmpFileName[D_FileNameMaxReadDef];
  char ctmpKW[D_CharTmpReadDef], ctmp2[256];
  int i;
  for(i=0; i< D_iKWNumDef; i++){
    strcpy(cFileNameList[i],"");
  }

  fplist = fopenMPI(cFileListNameFile, "r");
  if(fplist==NULL) return ReadDefFileError(cFileListNameFile);

  while(fgetsMPI(ctmp2, 256, fplist) != NULL){
    memset(ctmpKW, '\0', strlen(ctmpKW));
    memset(ctmpFileName, '\0', strlen(ctmpFileName));
    sscanf(ctmp2,"%s %s\n", ctmpKW, ctmpFileName);

    if(strncmp(ctmpKW, "#", 1)==0 || *ctmp2=='\n' || (strcmp(ctmpKW, "")&&strcmp(ctmpFileName,""))==0){
      continue;
    }
    else if(strcmp(ctmpKW, "")*strcmp(ctmpFileName, "")==0){
      fprintf(stdoutMPI,
              "Error: keyword and filename must be set as a pair in %s.\n",
              cFileListNameFile);
      fclose(fplist);
      return(-1);
    }
    if( CheckKW(ctmpKW, cKWListOfFileNameList, D_iKWNumDef, &itmpKWidx)!=0 ){
      fprintf(stdoutMPI, "Error: Wrong keywords %s in %s.\n", ctmpKW, cFileListNameFile);
      fprintf(stdoutMPI, "%s", "Choose Keywords as follows: \n");
      for(i=0; i<D_iKWNumDef;i++){
        fprintf(stdoutMPI, "%s \n", cKWListOfFileNameList[i]);
      }
      fclose(fplist);
      return(-1);
    }
    if(strcmp(cFileNameList[itmpKWidx], "") !=0){
      fprintf(stdoutMPI, "Error: Same keywords exist in %s.\n", cFileListNameFile);
      fclose(fplist);
      return(-1);
    }

    strcpy(cFileNameList[itmpKWidx], ctmpFileName);
  }
  fclose(fplist);  
  return 0;
}

GetFileNameByKW()

int GetFileNameByKW	(	int	iKWidx,
		char **	FileName
	)

function of getting file name labeled by the keyword

Parameters

iKWidx	index of keyword
FileName	filename

Return values

0	normally finished getting file name.
-1	unnormally finished getting file name.

Definition at line 2853 of file readdef.cpp.

Referenced by CalcByTEM(), and CalcSpectrum().

 {
  if(cFileNameListFile == NULL){
    return -1;
  }
  *FileName=cFileNameListFile[iKWidx];
  return 0;
}

GetKWWithIdx()

int GetKWWithIdx	(	char *	ctmpLine,
		char *	ctmp,
		int *	itmp
	)

Function of Getting keyword and it's variable from characters.

Parameters

[in]	ctmpLine	characters including keyword and it's variable
[out]	ctmp	keyword
[out]	itmp	variable for a keyword

Return values

0	keyword and it's variable are obtained.
1	ctmpLine is a comment line.
-1	format of ctmpLine is incorrect.

Version

0.1

Author

Takahiro Misawa (The University of Tokyo)

Kazuyoshi Yoshimi (The University of Tokyo)

Definition at line 172 of file readdef.cpp.

References stdoutMPI.

Referenced by ReadcalcmodFile().

{
  char *ctmpRead;
  char *cerror;
  char csplit[] = " ,.\t\n";
  if(*ctmpLine=='\n') return 1;
  ctmpRead = strtok(ctmpLine, csplit);
  if(strncmp(ctmpRead, "=", 1)==0 || strncmp(ctmpRead, "#", 1)==0 || ctmpRead==NULL){
    return 1;
  }
  strcpy(ctmp, ctmpRead);
    
  ctmpRead = strtok( NULL, csplit );
  *itmp = strtol(ctmpRead, &cerror, 0);
  //if ctmpRead is not integer type
  if(*cerror != '\0'){
    fprintf(stdoutMPI, "Error: incorrect format= %s. \n", cerror);
    return(-1);
  }

  ctmpRead = strtok( NULL, csplit );
  if(ctmpRead != NULL){
    fprintf(stdoutMPI, "Error: incorrect format= %s. \n", ctmpRead);
    return(-1);
  }
    
  return 0;
}

InitializeInteractionNum()

void InitializeInteractionNum

(

struct DefineList *

X

)

function of initializing interactions

Parameters

[out]

X

Define list to initialize number of interactions

Version

0.1

Author

Kazuyoshi Yoshimi (The University of Tokyo)

Takahiro Misawa (The University of Tokyo)

Definition at line 2691 of file readdef.cpp.

References CheckGeneralSpinIndexForInterAll(), DefineList::NCisAjt, DefineList::NCisAjtCkuAlvDC, DefineList::NCoulombInter, DefineList::NCoulombIntra, DefineList::NExchangeCoupling, DefineList::NHundCoupling, DefineList::NInterAll, DefineList::NInterAll_Diagonal, DefineList::NInterAll_OffDiagonal, DefineList::NIsingCoupling, DefineList::NLaser, DefineList::NNPairExcitationOperator, DefineList::NNSingleExcitationOperator, DefineList::NPairHopping, DefineList::NPairLiftCoupling, DefineList::NTEInterAll, DefineList::NTETimeSteps, DefineList::NTETransfer, and DefineList::NTransfer.

Referenced by ReadDefFileNInt(), and ResetInteractionNum().

{
  X->NTransfer=0;
  X->NCoulombIntra=0;
  X->NCoulombInter=0;
  X->NHundCoupling = 0;
  X->NExchangeCoupling = 0;
  X->NPairHopping = 0;
  X->NIsingCoupling=0;
  X->NPairLiftCoupling=0;
  X->NInterAll=0;
  X->NInterAll_Diagonal = 0;
  X->NInterAll_OffDiagonal = 0;
  X->NCisAjt=0;
  X->NCisAjtCkuAlvDC=0;
  X->NNSingleExcitationOperator=0;
  X->NNPairExcitationOperator=0;
  //[s] Time Evolution
  X->NTETimeSteps=0;
  X->NLaser=0;
  X->NTEInterAll=0;
  X->NTETransfer=0;
  //[e] Time Evolution

}

InputInterAllInfo()

int InputInterAllInfo	(	int *	icnt_interall,
		int **	iInterAllInfo,
		std::complex< double > *	cInterAllValue,
		int	isite1,
		int	isigma1,
		int	isite2,
		int	isigma2,
		int	isite3,
		int	isigma3,
		int	isite4,
		int	isigma4,
		double	dvalue_re,
		double	dvalue_im
	)

Input InterAll Interactions (Operators of the same kinds are grouped together).

Parameters

	icnt_interall	total number of interall interactions
	iInterAllInfo	arrays of information of interall interactions
	cInterAllValue	arrays of values of interall interactions
[in]	isite1	a site number on the site 1.
[in]	isigma1	a spin index on the site 1.
[in]	isite2	a site number on the site 2.
[in]	isigma2	a spin index on the site 2.
[in]	isite3	a site number on the site 3.
[in]	isigma3	a spin index on the site 3.
[in]	isite4	a site number on the site 4.
[in]	isigma4	a spin index on the site 4.
	dvalue_re
	dvalue_im

Returns

0 Interaction is off-diagonal

1 Interaction is diagonal

Definition at line 2942 of file readdef.cpp.

References I().

Referenced by ReadDefFileIdxPara().

  {
  int i = 0;
  int iflg_interall = 0;
  //Collect and sum same components of InterAll interactions
  for (i = 0; i < *icnt_interall; i++) {
    if (isite1 == iInterAllInfo[i][0] && isite2 == iInterAllInfo[i][2] &&
        isite3 == iInterAllInfo[i][4] && isite4 == iInterAllInfo[i][6] &&
        isigma1 == iInterAllInfo[i][1] && isigma2 == iInterAllInfo[i][3] &&
        isigma3 == iInterAllInfo[i][5] && isigma4 == iInterAllInfo[i][7]) {
      cInterAllValue[i] += dvalue_re + dvalue_im * I;
      iflg_interall = 1;
      return 0;
    }
  }

  //Input all InterAll interactions
  if (iflg_interall == 0) {
    iInterAllInfo[*icnt_interall][0] = isite1;
    iInterAllInfo[*icnt_interall][1] = isigma1;
    iInterAllInfo[*icnt_interall][2] = isite2;
    iInterAllInfo[*icnt_interall][3] = isigma2;
    iInterAllInfo[*icnt_interall][4] = isite3;
    iInterAllInfo[*icnt_interall][5] = isigma3;
    iInterAllInfo[*icnt_interall][6] = isite4;
    iInterAllInfo[*icnt_interall][7] = isigma4;
    cInterAllValue[*icnt_interall] = dvalue_re + I * dvalue_im;
    *icnt_interall+=1;
    //Check Diagonal part or not
    if (isite1 == isite2 && isite3 == isite4 &&
        isigma1 == isigma2 && isigma3 == isigma4) { //normal diagonal part
      return 1;
    } else if (isite1 == isite4 && isite2 == isite3 &&
               isigma1 == isigma4 && isigma2 == isigma3) { //hund term
      return 1;
    }
  }
  return 0;
}

JudgeDefType()

int JudgeDefType	(	const int	argc,
		char *	argv[],
		int *	mode
	)

function of judging a type of define files.

Parameters

[in]	argc	argument count
[in]	argv	argument vector
[out]	mode	a number to show a type of a define file

Return values

0	format is correct
-1	format is incorrect

Version

0.1

Author

Takahiro Misawa (The University of Tokyo)

Kazuyoshi Yoshimi (The University of Tokyo)

Definition at line 2453 of file readdef.cpp.

References CheckFormatForSpinInt(), CheckWords(), and stdoutMPI.

Referenced by CheckTransferHermite(), and main().

{
   int ver_maj =
#include "version_major.hpp"
;
   int ver_min =
#include "version_miner.hpp"
;
   int ver_pat =
#include "version_patch.hpp"
;

  if(argc == 3 && 
     (CheckWords(argv[1], "-e") == 0 ||
      CheckWords(argv[1], "--Expert") == 0)){
    *mode=EXPERT_MODE;
  }
  else if (argc == 3 && 
           (CheckWords(argv[1], "-s") ==0 ||
            CheckWords(argv[1], "--Standard") == 0 )){
    *mode=STANDARD_MODE;
  }
  else if (argc == 3 && 
           (CheckWords(argv[1], "-sdry") == 0 ||
            CheckWords(argv[1], "-s-dry") == 0)
           ){
    *mode = STANDARD_DRY_MODE;
  }
  else if (argc >= 2 &&
           (CheckWords(argv[1], "-v") == 0
            || CheckWords(argv[1], "--version") == 0)
           ) {
    fprintf(stdoutMPI, "\nHPhi version %d.%d.%d \n\n", ver_maj, ver_min, ver_pat);
    exit(-1);
  }
  else{
    fprintf(stdoutMPI, "\n[Usage] \n");
    fprintf(stdoutMPI, "* Expert mode \n");
    fprintf(stdoutMPI, "   $ HPhi -e {namelist_file} \n");
    fprintf(stdoutMPI, "* Standard mode \n");
    fprintf(stdoutMPI, "   $ HPhi -s {input_file} \n");
    fprintf(stdoutMPI, "* Standard DRY mode \n");
    fprintf(stdoutMPI, "   $ HPhi -sdry {input_file} \n");
    fprintf(stdoutMPI, "   In this mode, Hphi stops after it generats expert input files. \n");
    fprintf(stdoutMPI, "* Print the version \n");
    fprintf(stdoutMPI, "   $ HPhi -v \n\n");
    exit(-1);
  }

  return 0;
}

ReadcalcmodFile()

int ReadcalcmodFile	(	const char *	defname,
		struct DefineList *	X
	)

Function of Reading calcmod file.

Parameters

[in]	defname	file name to read.
[out]	X	Define List for getting flags of calc-mode.

Return values

0	normally finished reading file.
-1	unnormally finished reading file.

Version

0.1

Author

Takahiro Misawa (The University of Tokyo)

Kazuyoshi Yoshimi (The University of Tokyo)

Definition at line 215 of file readdef.cpp.

References CheckWords(), fgetsMPI(), fopenMPI(), GetKWWithIdx(), DefineList::iCalcEigenVec, DefineList::iCalcModel, DefineList::iCalcType, DefineList::iFlgCalcSpec, DefineList::iFlgFiniteTemperature, DefineList::iFlgMPI, DefineList::iFlgScaLAPACK, DefineList::iInitialVecType, DefineList::iInputEigenVec, DefineList::iInputHam, DefineList::iNGPU, DefineList::iOutputEigenVec, DefineList::iOutputExVec, DefineList::iOutputHam, DefineList::iOutputMode, DefineList::iReStart, ReadDefFileError(), stdoutMPI, and ValidateValue().

Referenced by ReadDefFileNInt().

{
  FILE *fp;
  int itmp, iret;
  char ctmpLine[D_CharTmpReadDef+D_CharKWDMAX];
  char ctmp[D_CharKWDMAX];
  X->iCalcType=0;
  X->iFlgFiniteTemperature=0;
  X->iCalcModel=0;
  X->iOutputMode=0;
  X->iCalcEigenVec=0;
  X->iInitialVecType=0;
  X->iOutputEigenVec=0;
  X->iInputEigenVec=0;
  X->iOutputHam=0;
  X->iInputHam=0;
  X->iOutputExVec = 0;
  X->iFlgCalcSpec=0;
  X->iReStart=0;
  X->iFlgMPI=0;
  X->iFlgScaLAPACK=0;
#ifdef _MAGMA
  X->iNGPU=2;
#else
  X->iNGPU=0;
#endif
  /*=======================================================================*/
  fp = fopenMPI(defname, "r");
  if(fp==NULL) return ReadDefFileError(defname);
  /* read Parameters from calcmod.def*/
  while( fgetsMPI(ctmpLine, D_CharTmpReadDef+D_CharKWDMAX, fp)!=NULL ){
    if( (iret=GetKWWithIdx(ctmpLine, ctmp, &itmp)) !=0){
      if(iret==1) continue;
      return(-1);
    }   
    if(CheckWords(ctmp, "CalcType")==0){
      X->iCalcType=itmp;
      if (X->iCalcType == Lanczos) {
        fprintf(stdoutMPI, "  LOBPCG is used alternative to Lanczos.\n");
        X->iCalcType = CG;
      }
    }
    else if(CheckWords(ctmp, "FlgFiniteTemperature")==0){
      X->iFlgFiniteTemperature = itmp;
    }
    else if(CheckWords(ctmp, "CalcModel")==0){
      X->iCalcModel=itmp;
    }
    else if(CheckWords(ctmp, "OutputMode")==0){
      X->iOutputMode=itmp;
    }
    else if(CheckWords(ctmp, "CalcEigenVec")==0){
      X->iCalcEigenVec=itmp;
    }
    else if(CheckWords(ctmp, "InitialVecType")==0){
      X->iInitialVecType=itmp;
    }
    else if(CheckWords(ctmp, "OutputEigenVec")==0 || CheckWords(ctmp, "OEV")==0){
      X->iOutputEigenVec=itmp;
    }
    else if(CheckWords(ctmp, "InputEigenVec")==0 || CheckWords(ctmp, "IEV")==0){
      X->iInputEigenVec=itmp;
    }
    else if(CheckWords(ctmp, "OutputHam")==0){
      X->iOutputHam=itmp;
    }
    else if(CheckWords(ctmp, "InputHam")==0){
      X->iInputHam=itmp;
    }
    else if(CheckWords(ctmp, "OutputExcitedVec")==0|| CheckWords(ctmp, "OutputExVec")==0){
      X->iOutputExVec=itmp;
    }
    else if(CheckWords(ctmp, "CalcSpec")==0 || CheckWords(ctmp, "CalcSpectrum")==0){
      X->iFlgCalcSpec=itmp;
    }
    else if(CheckWords(ctmp, "ReStart")==0){
      X->iReStart=itmp;
    }
    else if(CheckWords(ctmp, "NGPU")==0){
        X->iNGPU=itmp;
    }
    else if(CheckWords(ctmp, "ScaLAPACK")==0){
#ifdef _SCALAPACK
      X->iFlgScaLAPACK=itmp;
#endif
    }
    else{
      fprintf(stdoutMPI, "Error: In %s, wrong parameter name:%s \n", defname, ctmp);
      return(-1);
    }
  }
  fclose(fp);
    
  /* Check values*/
  if(ValidateValue(X->iCalcModel, 0, NUM_CALCMODEL-1)){
    fprintf(stdoutMPI, "Error in %s\n CalcType: 0: Lanczos Method, 1: Thermal Pure Quantum State Method, 2: Full Diagonalization Method, 3: Calculation Spectrum mode.\n", defname);
    return (-1);
  }
  if(ValidateValue(X->iCalcType, 0, NUM_CALCTYPE-1)){
    fprintf(stdoutMPI, "Error in %s\n CalcType: 0: Lanczos Method, 1: Thermal Pure Quantum State Method, 2: Full Diagonalization Method, 3: Calculation Spectrum mode.\n", defname);
    return (-1);
  }
  if(ValidateValue(X->iOutputMode, 0, NUM_OUTPUTMODE-1)){
    fprintf(stdoutMPI, "Error in %s\n OutputMode: \n 0: calc one body green function and two body green functions,\n 1: calc one body green function and two body green functions and correlatinos for charge and spin.\n", defname);
    return (-1);
  }
  
  if(ValidateValue(X->iCalcEigenVec, -1, NUM_CALCEIGENVEC-1)){
    fprintf(stdoutMPI, "Error in %s\n CalcEigenVec: \n 0: Lanczos+CG method,\n 1: Lanczos method.\n", defname);
    return (-1);
  }
  
  if(ValidateValue(X->iInitialVecType, 0, NUM_SETINITAILVEC-1)){
    fprintf(stdoutMPI, "Error in %s\n InitialVecType: \n 0: complex type,\n 1: real type.\n", defname);
    return (-1);
  }

  if(ValidateValue(X->iOutputHam, 0, NUM_OUTPUTHAM-1)){
    fprintf(stdoutMPI, "Error in %s\n OutputHam: \n 0: not output Hamiltonian,\n 1: output Hamiltonian.\n", defname);
    return (-1);
  }
  if(ValidateValue(X->iInputHam, 0, NUM_INPUTHAM-1)){
    fprintf(stdoutMPI, "Error in %s\n InputHam: 0: not input Hamiltonian,\n 1: input Hamiltonian.\n", defname);
    return (-1);
  }
  if(X->iInputHam == 1 && X->iOutputHam==1){
    fprintf(stdoutMPI,
            "Error in %s\n OutputHam=1 and InputHam=1.\n", defname);
    return (-1);
  }
  if(ValidateValue(X->iReStart, 0, NUM_RESTART-1)){
    fprintf(stdoutMPI, "Error in %s Restart: \n 0: not restart (default).\n 1: output a restart vector.\n 2: input a restart vector and output a new restart vector.\n 3: input a restart vector.\n", defname);
    return (-1);
  }
  if(X->iNGPU < 0){
    fprintf(stdoutMPI, "Error in %s\n NGPU: NGPU must be greater than 0.\n", defname);
    return (-1);
  }
  if(ValidateValue(X->iFlgScaLAPACK, 0, 1)){
    fprintf(stdoutMPI, "Error in %s\n NGPU: NGPU must be greater than 0.\n", defname);
    return (-1);
  }

  /* In the case of Full Diagonalization method(iCalcType=2)*/
  if(X->iCalcType==2 && ValidateValue(X->iFlgFiniteTemperature, 0, 1)){
    fprintf(stdoutMPI,
            "Error in %s\n FlgFiniteTemperature: Finite Temperature, 1: Zero Temperature.\n",
            defname);
    return (-1);
  }

  if(X->iCalcType !=2 && X->iOutputHam ==TRUE) {
    fprintf(stdoutMPI,
            "Error in %s\n OutputHam is only defined for FullDiag mode, CalcType=2.\n",
            defname);
    return (-1);
  }

  return 0;
}

ReadDefFileError()

int ReadDefFileError

(

const char *

defname

)

Error Function of reading def files.

Parameters

[in]

defname

name of def file.

Version

0.1

Author

Takahiro Misawa (The University of Tokyo)

Kazuyoshi Yoshimi (The University of Tokyo)

Definition at line 97 of file readdef.cpp.

References stdoutMPI.

Referenced by GetFileName(), ReadcalcmodFile(), ReadDefFileIdxPara(), and ReadDefFileNInt().

                      {
  fprintf(stdoutMPI, "Error: %s (Broken file or Not exist)\n", defname);
  return (-1);
}

ReadDefFileIdxPara()

int ReadDefFileIdxPara	(	struct DefineList *	X,
		struct BoostList *	xBoost
	)

function of reading def files to get keyword index

Parameters

X	define list to get and put informations for calcuation
xBoost	list to get and put informations for Boost (CMA) calcuation

Return values

0	normally finished reading file.
-1	unnormally finished reading file.

Version

0.1

Author

Takahiro Misawa (The University of Tokyo)

Kazuyoshi Yoshimi (The University of Tokyo)

Definition at line 1399 of file readdef.cpp.

References BoostList::arrayJ, CheckFormatForSpinInt(), CheckInterAllCondition(), CheckInterAllHermite(), CheckLocSpin(), CheckPairSite(), CheckQuadSite(), CheckSite(), CheckSpinIndexForTrans(), CheckTETransferHermite(), CheckTransferHermite(), DefineList::CisAjt, DefineList::CisAjtCkuAlvDC, DefineList::CoulombInter, DefineList::CoulombIntra, D_iKWNumDef, DefineList::EDChemi, DefineList::EDNChemi, DefineList::EDParaChemi, DefineList::EDSpinChemi, eps_CheckImag0, DefineList::ExchangeCoupling, exitMPI(), fgetsMPI(), fopenMPI(), DefineList::GeneralTransfer, GetDiagonalInterAll(), DefineList::HundCoupling, I(), DefineList::iCalcModel, DefineList::iFlgGeneralSpin, InputInterAllInfo(), DefineList::InterAll, DefineList::InterAll_Diagonal, DefineList::InterAll_OffDiagonal, BoostList::list_6spin_pair, BoostList::list_6spin_star, DefineList::LocSpn, DefineList::NCisAjt, DefineList::NCisAjtCkuAlvDC, DefineList::NCoulombInter, DefineList::NCoulombIntra, DefineList::NExchangeCoupling, DefineList::NHundCoupling, DefineList::NInterAll, DefineList::NInterAll_Diagonal, DefineList::NInterAll_OffDiagonal, DefineList::NIsingCoupling, DefineList::NLaser, DefineList::NNPairExcitationOperator, DefineList::NNSingleExcitationOperator, DefineList::NPairExcitationOperator, DefineList::NPairHopping, DefineList::NPairLiftCoupling, DefineList::NSingleExcitationOperator, DefineList::Nsite, DefineList::NTEChemi, DefineList::NTEInterAll, DefineList::NTEInterAllDiagonal, DefineList::NTEInterAllOffDiagonal, DefineList::NTETimeSteps, DefineList::NTETransfer, DefineList::NTransfer, BoostList::num_pivot, BoostList::NumarrayJ, DefineList::PairExcitationOperator, DefineList::PairHopping, DefineList::PairLiftCoupling, DefineList::ParaCoulombInter, DefineList::ParaCoulombIntra, DefineList::ParaExchangeCoupling, DefineList::ParaGeneralTransfer, DefineList::ParaHundCoupling, DefineList::ParaInterAll, DefineList::ParaInterAll_Diagonal, DefineList::ParaInterAll_OffDiagonal, DefineList::ParaLaser, DefineList::ParaPairExcitationOperator, DefineList::ParaPairHopping, DefineList::ParaPairLiftCoupling, DefineList::ParaSingleExcitationOperator, DefineList::ParaTEChemi, DefineList::ParaTEInterAll, DefineList::ParaTEInterAllDiagonal, DefineList::ParaTEInterAllOffDiagonal, DefineList::ParaTETransfer, BoostList::R0, ReadDefFileError(), ResetInteractionNum(), DefineList::SingleExcitationOperator, DefineList::SiteToBit, DefineList::SpinTEChemi, stdoutMPI, DefineList::TEChemi, DefineList::TEInterAll, DefineList::TEInterAllDiagonal, DefineList::TEInterAllOffDiagonal, DefineList::TETime, DefineList::TETransfer, and BoostList::vecB.

Referenced by main().

{
  FILE *fp;
  char defname[D_FileNameMaxReadDef];
  char ctmp[D_CharTmpReadDef], ctmp2[256];

  int i, idx, itype;
  int xitmp[8];
  int iKWidx = 0;
  int iboolLoc = 0;
  int isite1, isite2, isite3, isite4;
  int isigma1, isigma2, isigma3, isigma4;
  double dvalue_re, dvalue_im;
  double dArrayValue_re[3];
  int icnt_diagonal = 0;
  int ieps_CheckImag0 = -12;
  eps_CheckImag0 = pow(10.0, ieps_CheckImag0);
  int iline = 0;
  int ilineIn = 0;
  int ilineIn2 = 0;
  int itmp = 0;
  int icnt_trans = 0;
  int iflg_trans = 0;
  int icnt_interall = 0;

  int iloop = 0;

  for (iKWidx = KWLocSpin; iKWidx < D_iKWNumDef; iKWidx++) {
    strcpy(defname, cFileNameListFile[iKWidx]);
    if (strcmp(defname, "") == 0 || iKWidx == KWSpectrumVec) continue;
    fprintf(stdoutMPI, "  Read File %s.\n", defname);
    fp = fopenMPI(defname, "r");
    if (fp == NULL) return ReadDefFileError(defname);
    if (iKWidx != KWBoost) {
      for (i = 0; i < IgnoreLinesInDef; i++) fgetsMPI(ctmp, sizeof(ctmp) / sizeof(char), fp);
    }

    idx = 0;
    /*=======================================================================*/
    switch (iKWidx) {
    case KWLocSpin:
      /* Read locspn.def----------------------------------------*/
      while (fgetsMPI(ctmp2, 256, fp) != NULL) {
        if (idx == X->Nsite) {
          fclose(fp);
          return ReadDefFileError(defname);
        }

        sscanf(ctmp2, "%d %d\n", &(xitmp[0]), &(xitmp[1]));
        X->LocSpn[xitmp[0]] = xitmp[1];
        X->SiteToBit[xitmp[0]] = (X->LocSpn[xitmp[0]] + 1);//2S+1
        if (CheckSite(xitmp[0], X->Nsite) != 0) {
          fclose(fp);
          return ReadDefFileError(defname);
        }
        idx++;
      }
      if (CheckLocSpin(X) == FALSE) {
        fclose(fp);
        return ReadDefFileError(defname);
      }

      break;

    case KWTrans:
      /* transfer.def--------------------------------------*/
      if (X->NTransfer > 0) {
        icnt_trans = 0;
        while (fgetsMPI(ctmp2, 256, fp) != NULL)
        {
          if (idx == X->NTransfer) {
            fclose(fp);
            return ReadDefFileError(defname);
          }

          sscanf(ctmp2, "%d %d %d %d %lf %lf\n",
            &isite1,
            &isigma1,
            &isite2,
            &isigma2,
            &dvalue_re,
            &dvalue_im
          );

          if (CheckPairSite(isite1, isite2, X->Nsite) != 0) {
            fclose(fp);
            return ReadDefFileError(defname);
          }

          if (isite1 == isite2 && isigma1 == isigma2) {
            if (fabs(dvalue_im) > eps_CheckImag0) {
              //NonHermite
              fprintf(stdoutMPI,
                "Error: NonHermite (i, spni, j, spnj) = (%d,  %d, %d, %d), trans_re= %lf, trans_im= %lf.\n",
                isite1, isigma1, isite2, isigma2, dvalue_re, dvalue_im);
              fclose(fp);
              return ReadDefFileError(defname);
            }
          }

          if (X->iCalcModel == Spin) {
            if (isite1 != isite2) {
              iboolLoc = 1;
              fprintf(stdoutMPI, "Warning: Site component of (i, j) =(%d, %d) is ignored.\n",
                isite1, isite2);
            }
          }
          else if (X->iCalcModel == Kondo) {
            if (X->LocSpn[isite1] != ITINERANT || X->LocSpn[isite2] != ITINERANT) {
              if (isite1 != isite2) {
                iboolLoc = 1;
                fprintf(stdoutMPI, "Error: Site component of (i, j) =(%d, %d) is incorrect.\n", isite1, isite2);
              }
            }
          }
          else if (X->iCalcModel == SpinlessFermion || X->iCalcModel == SpinlessFermionGC) {
            if (isigma1 != 0 || isigma2 != 0) {
              //Not allowed
              fprintf(stderr,
                "Error: NonHermite (i, spni, j, spnj) = (%d,  %d, %d, %d), trans_re= %lf, trans_im= %lf.\n",
                isite1, isigma1, isite2, isigma2, dvalue_re, dvalue_im);
              fclose(fp);
              return ReadDefFileError(defname);
            }
          }

          iflg_trans = 0;
          for (i = 0; i < icnt_trans; i++) {
            if (isite1 == X->GeneralTransfer[i][0] && isite2 == X->GeneralTransfer[i][2]
              && isigma1 == X->GeneralTransfer[i][1] && isigma2 == X->GeneralTransfer[i][3])
            {
              X->ParaGeneralTransfer[i] += dvalue_re + dvalue_im * I;
              iflg_trans = 1;
              continue;
            }
          }

          if (iflg_trans == 0) {
            X->GeneralTransfer[icnt_trans][0] = isite1;
            X->GeneralTransfer[icnt_trans][1] = isigma1;
            X->GeneralTransfer[icnt_trans][2] = isite2;
            X->GeneralTransfer[icnt_trans][3] = isigma2;
            X->ParaGeneralTransfer[icnt_trans] = dvalue_re + dvalue_im * I;
            icnt_trans++;
          }
          idx++;
        }

        if (iboolLoc == 1) {
          fclose(fp);
          return(-1);
        }
      }

      X->NTransfer = icnt_trans;

      if (CheckSpinIndexForTrans(X) == FALSE) {
        fclose(fp);
        return(-1);
      }

      if (CheckTransferHermite(X) != 0) {
        fprintf(stdoutMPI, "%s", "Error: NonHermite Pair exists in transfer integral. \n");
        fclose(fp);
        return(-1);
      }
      break;

    case KWCoulombIntra:
      /*coulombintra.def----------------------------------*/
      if (X->NCoulombIntra > 0) {
        while (fgetsMPI(ctmp2, 256, fp) != NULL) {
          if (idx == X->NCoulombIntra) {
            fclose(fp);
            return ReadDefFileError(defname);
          }
          sscanf(ctmp2, "%d %lf\n",
            &(X->CoulombIntra[idx][0]),
            &(X->ParaCoulombIntra[idx])
          );

          if (CheckSite(X->CoulombIntra[idx][0], X->Nsite) != 0) {
            fclose(fp);
            return ReadDefFileError(defname);
          }
          idx++;
        }
      }
      break;

    case KWCoulombInter:
      /*coulombinter.def----------------------------------*/
      if (X->NCoulombInter > 0) {
        while (fgetsMPI(ctmp2, 256, fp) != NULL) {
          if (idx == X->NCoulombInter) {
            fclose(fp);
            return ReadDefFileError(defname);
          }

          sscanf(ctmp2, "%d %d %lf\n",
            &(X->CoulombInter[idx][0]),
            &(X->CoulombInter[idx][1]),
            &(X->ParaCoulombInter[idx])
          );

          if (CheckPairSite(X->CoulombInter[idx][0], X->CoulombInter[idx][1], X->Nsite) != 0) {
            fclose(fp);
            return ReadDefFileError(defname);
          }

          idx++;
        }
      }
      break;

    case KWHund:
      /*hund.def------------------------------------------*/
      if (X->NHundCoupling > 0) {
        while (fgetsMPI(ctmp2, 256, fp) != NULL)
        {
          if (idx == X->NHundCoupling) {
            fclose(fp);
            return ReadDefFileError(defname);
          }

          sscanf(ctmp2, "%d %d %lf\n",
            &(X->HundCoupling[idx][0]),
            &(X->HundCoupling[idx][1]),
            &(X->ParaHundCoupling[idx])
          );

          if (CheckPairSite(X->HundCoupling[idx][0], X->HundCoupling[idx][1], X->Nsite) != 0) {
            fclose(fp);
            return ReadDefFileError(defname);
          }

          idx++;
        }
      }
      break;
    case KWPairHop:
      /*pairhop.def---------------------------------------*/
      if (X->iCalcModel == Spin || X->iCalcModel == SpinGC) {
        fprintf(stdoutMPI, "PairHop is not active in Spin and SpinGC.\n");
        return(-1);
      }

      if (X->NPairHopping > 0) {
        while (fgetsMPI(ctmp2, 256, fp) != NULL) {
          if (idx == X->NPairHopping / 2) {
            fclose(fp);
            return ReadDefFileError(defname);
          }
          sscanf(ctmp2, "%d %d %lf\n",
            &(X->PairHopping[2 * idx][0]),
            &(X->PairHopping[2 * idx][1]),
            &(X->ParaPairHopping[2 * idx])
          );

          if (CheckPairSite(X->PairHopping[2 * idx][0], X->PairHopping[2 * idx][1], X->Nsite) != 0) {
            fclose(fp);
            return ReadDefFileError(defname);
          }
          X->PairHopping[2 * idx + 1][0] = X->PairHopping[2 * idx][1];
          X->PairHopping[2 * idx + 1][1] = X->PairHopping[2 * idx][0];
          X->ParaPairHopping[2 * idx + 1] = X->ParaPairHopping[2 * idx];
          idx++;
        }
      }
      break;

    case KWExchange:
      /*exchange.def--------------------------------------*/
      if (X->NExchangeCoupling > 0) {
        while (fgetsMPI(ctmp2, 256, fp) != NULL) {
          if (idx == X->NExchangeCoupling) {
            fclose(fp);
            return ReadDefFileError(defname);
          }

          sscanf(ctmp2, "%d %d %lf\n",
            &(X->ExchangeCoupling[idx][0]),
            &(X->ExchangeCoupling[idx][1]),
            &(X->ParaExchangeCoupling[idx])
          );

          if (CheckPairSite(X->ExchangeCoupling[idx][0], X->ExchangeCoupling[idx][1], X->Nsite) != 0) {
            fclose(fp);
            return ReadDefFileError(defname);
          }

          idx++;
        }
      }
      break;

    case KWIsing:
      /*ising.def--------------------------------------*/
      if (X->NIsingCoupling > 0) {
        while (fgetsMPI(ctmp2, 256, fp) != NULL) {
          if (idx == X->NIsingCoupling) {
            fclose(fp);
            return ReadDefFileError(defname);
          }

          sscanf(ctmp2, "%d %d %lf\n",
            &isite1,
            &isite2,
            &dvalue_re
          );

          if (CheckPairSite(isite1, isite2, X->Nsite) != 0) {
            fclose(fp);
            return ReadDefFileError(defname);
          }

          //input into exchange couplings
          X->HundCoupling[X->NHundCoupling + idx][0] = isite1;
          X->HundCoupling[X->NHundCoupling + idx][1] = isite2;
          X->ParaHundCoupling[X->NHundCoupling + idx] = -dvalue_re / 2.0;
          //input into inter Coulomb
          X->CoulombInter[X->NCoulombInter + idx][0] = isite1;
          X->CoulombInter[X->NCoulombInter + idx][1] = isite2;
          X->ParaCoulombInter[X->NCoulombInter + idx] = -dvalue_re / 4.0;
          idx++;
        }
      }
      break;

    case KWPairLift:
      /*pairlift.def--------------------------------------*/
      if (X->NPairLiftCoupling > 0) {
        if (X->iCalcModel != SpinGC) {
          fprintf(stdoutMPI, "PairLift is active only in SpinGC.\n");
          return(-1);
        }
        while (fgetsMPI(ctmp2, 256, fp) != NULL)
        {
          if (idx == X->NPairLiftCoupling) {
            fclose(fp);
            return ReadDefFileError(defname);
          }

          sscanf(ctmp2, "%d %d %lf\n",
            &(X->PairLiftCoupling[idx][0]),
            &(X->PairLiftCoupling[idx][1]),
            &(X->ParaPairLiftCoupling[idx])
          );

          if (CheckPairSite(X->PairLiftCoupling[idx][0], X->PairLiftCoupling[idx][1], X->Nsite) != 0) {
            fclose(fp);
            return ReadDefFileError(defname);
          }

          idx++;
        }
      }
      break;

    case KWInterAll:
      /*interall.def---------------------------------------*/
      X->NInterAll_Diagonal = 0;
      X->NInterAll_OffDiagonal = 0;
      if (X->NInterAll > 0) {
        icnt_interall = 0;
        icnt_diagonal = 0;
        while (fgetsMPI(ctmp2, 256, fp) != NULL) {
          if (idx == X->NInterAll) {
            fclose(fp);
            return ReadDefFileError(defname);
          }
          sscanf(ctmp2, "%d %d %d %d %d %d %d %d %lf %lf\n",
            &isite1,
            &isigma1,
            &isite2,
            &isigma2,
            &isite3,
            &isigma3,
            &isite4,
            &isigma4,
            &dvalue_re,
            &dvalue_im
          );

          if (CheckInterAllCondition(X->iCalcModel, X->Nsite, X->iFlgGeneralSpin, X->LocSpn,
            isite1, isigma1, isite2, isigma2,
            isite3, isigma3, isite4, isigma4) != 0) {
            fclose(fp);
            return ReadDefFileError(defname);
          }

          if (InputInterAllInfo(&icnt_interall,
            X->InterAll,
            X->ParaInterAll,
            isite1, isigma1,
            isite2, isigma2,
            isite3, isigma3,
            isite4, isigma4,
            dvalue_re, dvalue_im
          ) != 0) {
            icnt_diagonal += 1;
          }
          idx++;
        }
      }

      X->NInterAll = icnt_interall;
      X->NInterAll_Diagonal = icnt_diagonal;
      X->NInterAll_OffDiagonal = X->NInterAll - X->NInterAll_Diagonal;

      if (GetDiagonalInterAll(
        X->InterAll, X->ParaInterAll, X->NInterAll,
        X->InterAll_Diagonal, X->ParaInterAll_Diagonal,
        X->InterAll_OffDiagonal, X->ParaInterAll_OffDiagonal,
        X->EDChemi, X->EDSpinChemi, X->EDParaChemi, &X->EDNChemi,
        X->iCalcModel
      ) != 0) {
        fclose(fp);
        return(-1);
      }

      if (CheckInterAllHermite(
        X->InterAll, X->ParaInterAll,
        X->InterAll_OffDiagonal, X->ParaInterAll_OffDiagonal,
        X->NInterAll_OffDiagonal, X->iCalcModel
      ) != 0) {
        fprintf(stdoutMPI, "%s", "Error: NonHermite Pair exists in InterAll. \n");
        fclose(fp);
        return (-1);
      }
      break;

    case KWOneBodyG:
      /*cisajs.def----------------------------------------*/
      if (X->NCisAjt > 0) {
        while (fgetsMPI(ctmp2, 256, fp) != NULL) {
          if (idx == X->NCisAjt) {
            fclose(fp);
            return ReadDefFileError(defname);
          }
          sscanf(ctmp2, "%d %d %d %d\n",
            &isite1,
            &isigma1,
            &isite2,
            &isigma2);

          if (X->iCalcModel == Spin) {
            if (isite1 != isite2) {
              fprintf(stdoutMPI, "Warning: Site component of (i, j) =(%d, %d) is ignored.\n",
                isite1, isite2);
              X->NCisAjt--;
              continue;
            }
          }

          X->CisAjt[idx][0] = isite1;
          X->CisAjt[idx][1] = isigma1;
          X->CisAjt[idx][2] = isite2;
          X->CisAjt[idx][3] = isigma2;

          if (CheckPairSite(isite1, isite2, X->Nsite) != 0) {
            fclose(fp);
            return ReadDefFileError(defname);
          }

          idx++;
        }
      }
      break;

    case KWTwoBodyG:
      /*cisajscktaltdc.def--------------------------------*/
      if (X->NCisAjtCkuAlvDC > 0) {
        while (fgetsMPI(ctmp2, 256, fp) != NULL) {
          if (idx == X->NCisAjtCkuAlvDC) {
            fclose(fp);
            return ReadDefFileError(defname);
          }

          sscanf(ctmp2, "%d %d %d %d %d %d %d %d\n",
            &isite1,
            &isigma1,
            &isite2,
            &isigma2,
            &isite3,
            &isigma3,
            &isite4,
            &isigma4
          );

          if (X->iCalcModel == Spin || X->iCalcModel == SpinGC) {
            if (CheckFormatForSpinInt(isite1, isite2, isite3, isite4) != 0) {
              exitMPI(-1);
              //X->NCisAjtCkuAlvDC--;
              //continue;
            }
          }


          X->CisAjtCkuAlvDC[idx][0] = isite1;
          X->CisAjtCkuAlvDC[idx][1] = isigma1;
          X->CisAjtCkuAlvDC[idx][2] = isite2;
          X->CisAjtCkuAlvDC[idx][3] = isigma2;
          X->CisAjtCkuAlvDC[idx][4] = isite3;
          X->CisAjtCkuAlvDC[idx][5] = isigma3;
          X->CisAjtCkuAlvDC[idx][6] = isite4;
          X->CisAjtCkuAlvDC[idx][7] = isigma4;

          if (CheckQuadSite(isite1, isite2, isite3, isite4, X->Nsite) != 0) {
            fclose(fp);
            return ReadDefFileError(defname);
          }
          idx++;
        }
      }
      break;

    case KWLaser:
      //printf("KWLaser\n");
      /*laser.def----------------------------------*/
      if (X->NLaser > 0) {
        //printf("Read Start\n");
        while (fgetsMPI(ctmp2, 256, fp) != NULL) {
          sscanf(ctmp2, "%s %lf\n", ctmp, &(X->ParaLaser[idx]));
          //printf("[%d]:%f\n",idx,X->ParaLaser[idx]);
          idx++;
        }
        if (idx != X->NLaser) {
          fclose(fp);
          return ReadDefFileError(defname);
        }
      }
      break;

    case KWTEOneBody:
      if (X->NTETimeSteps > 0) {
        idx = 0;
        while (fgetsMPI(ctmp2, 256, fp) != NULL) {
          sscanf(ctmp2, "%lf %d\n", &(X->TETime[idx]), &(X->NTETransfer[idx]));
          for (i = 0; i < X->NTETransfer[idx]; ++i) {
            fgetsMPI(ctmp2, 256, fp);
            sscanf(ctmp2, "%d %d %d %d %lf %lf\n",
              &isite1,
              &isigma1,
              &isite2,
              &isigma2,
              &dvalue_re,
              &dvalue_im
            );
            X->TETransfer[idx][i][0] = isite1;
            X->TETransfer[idx][i][1] = isigma1;
            X->TETransfer[idx][i][2] = isite2;
            X->TETransfer[idx][i][3] = isigma2;
            X->ParaTETransfer[idx][i] = dvalue_re + dvalue_im * I;
          }
          //check Transfer Hermite
          if (CheckTETransferHermite(X, X->NTETransfer[idx], idx) != 0) {
            fclose(fp);
            return ReadDefFileError(defname);
          }
          idx++;
        }
        if (idx != X->NTETimeSteps) {
          fclose(fp);
          return ReadDefFileError(defname);
        }
      }
      break;

    case KWTETwoBody:
      if (X->NTETimeSteps > 0) {
        idx = 0;
        while (fgetsMPI(ctmp2, 256, fp) != NULL) {
          sscanf(ctmp2, "%lf %d\n", &(X->TETime[idx]), &(X->NTEInterAll[idx]));
          icnt_interall = 0;
          icnt_diagonal = 0;
          for (i = 0; i < X->NTEInterAll[idx]; ++i) {
            fgetsMPI(ctmp2, 256, fp);
            sscanf(ctmp2, "%d %d %d %d %d %d %d %d %lf %lf\n",
              &isite1,
              &isigma1,
              &isite2,
              &isigma2,
              &isite3,
              &isigma3,
              &isite4,
              &isigma4,
              &dvalue_re,
              &dvalue_im
            );
            if (CheckInterAllCondition(X->iCalcModel, X->Nsite, X->iFlgGeneralSpin, X->LocSpn,
              isite1, isigma1, isite2, isigma2,
              isite3, isigma3, isite4, isigma4) != 0) {
              fclose(fp);
              return ReadDefFileError(defname);
            }
            if (InputInterAllInfo(&icnt_interall,
              X->TEInterAll[idx],
              X->ParaTEInterAll[idx],
              isite1, isigma1,
              isite2, isigma2,
              isite3, isigma3,
              isite4, isigma4,
              dvalue_re, dvalue_im
            ) != 0) {
              icnt_diagonal += 1;
            }
          }

          X->NTEInterAll[idx] = icnt_interall;
          X->NTEInterAllDiagonal[idx] = icnt_diagonal;
          X->NTEInterAllOffDiagonal[idx] = icnt_interall - icnt_diagonal;
          //Diagonal -> OffDiagonal -> search pair -> hermite
          if (GetDiagonalInterAll(X->TEInterAll[idx], X->ParaTEInterAll[idx], 
            X->NTEInterAll[idx], X->TEInterAllDiagonal[idx], X->ParaTEInterAllDiagonal[idx],
            X->TEInterAllOffDiagonal[idx], X->ParaTEInterAllOffDiagonal[idx], X->TEChemi[idx], 
            X->SpinTEChemi[idx], X->ParaTEChemi[idx], &X->NTEChemi[idx], X->iCalcModel) != 0)
          {
            fclose(fp);
            return (-1);
          }

          if (CheckInterAllHermite(
            X->TEInterAll[idx], X->ParaTEInterAll[idx],
            X->TEInterAllOffDiagonal[idx], X->ParaTEInterAllOffDiagonal[idx],
            X->NTEInterAllOffDiagonal[idx], X->iCalcModel
          ) != 0) {
            fprintf(stdoutMPI, "%s", "Error: NonHermite Pair exists in InterAll. \n");
            fclose(fp);
            return (-1);
          }
          idx++;
        }

        if (idx != X->NTETimeSteps) {
          fclose(fp);
          return ReadDefFileError(defname);
        }
      }
      break;

    case KWBoost:
      /* boost.def--------------------------------*/
      //input magnetic field
      fgetsMPI(ctmp2, 256, fp);
      sscanf(ctmp2, "%lf %lf %lf\n",
        &dArrayValue_re[0],
        &dArrayValue_re[1],
        &dArrayValue_re[2]);
      for (iline = 0; iline < 3; iline++) {
        xBoost->vecB[iline] = dArrayValue_re[iline];
      }

      //this line is skipped;
      fgetsMPI(ctmp2, 256, fp);

      //input arrayJ
      if (xBoost->NumarrayJ > 0) {
        for (iline = 0; iline < xBoost->NumarrayJ; iline++) {
          for (ilineIn = 0; ilineIn < 3; ilineIn++) {
            fgetsMPI(ctmp2, 256, fp);
            sscanf(ctmp2, "%lf %lf %lf\n",
              &dArrayValue_re[0],
              &dArrayValue_re[1],
              &dArrayValue_re[2]);
            for (ilineIn2 = 0; ilineIn2 < 3; ilineIn2++) {
              xBoost->arrayJ[iline][ilineIn][ilineIn2] = dArrayValue_re[ilineIn2];
            }
          }
        }
      }

      //this line is skipped;
      fgetsMPI(ctmp2, 256, fp);

      //read list_6spin_star
      if (xBoost->num_pivot > 0) {
        for (iline = 0; iline < xBoost->num_pivot; iline++) {
          //input
          fgetsMPI(ctmp2, 256, fp);
          sscanf(ctmp2, "%d %d %d %d %d %d %d\n",
            &xBoost->list_6spin_star[iline][0],
            &xBoost->list_6spin_star[iline][1],
            &xBoost->list_6spin_star[iline][2],
            &xBoost->list_6spin_star[iline][3],
            &xBoost->list_6spin_star[iline][4],
            &xBoost->list_6spin_star[iline][5],
            &xBoost->list_6spin_star[iline][6]
          );
          //copy
          for (iloop = 0; iloop < xBoost->R0; iloop++) {
            for (itmp = 0; itmp < 7; itmp++) {
              xBoost->list_6spin_star[iloop*xBoost->num_pivot + iline][itmp] 
                = xBoost->list_6spin_star[iline][itmp];
            }
          }
        }
      }

      //read list_6spin_pair
      if (xBoost->num_pivot > 0) {
        for (iline = 0; iline < xBoost->num_pivot; iline++) {
          //input
          for (ilineIn2 = 0; ilineIn2 < xBoost->list_6spin_star[iline][0]; ilineIn2++) {
            fgetsMPI(ctmp2, 256, fp);
            sscanf(ctmp2, "%d %d %d %d %d %d %d\n",
              &xBoost->list_6spin_pair[iline][0][ilineIn2],
              &xBoost->list_6spin_pair[iline][1][ilineIn2],
              &xBoost->list_6spin_pair[iline][2][ilineIn2],
              &xBoost->list_6spin_pair[iline][3][ilineIn2],
              &xBoost->list_6spin_pair[iline][4][ilineIn2],
              &xBoost->list_6spin_pair[iline][5][ilineIn2],
              &xBoost->list_6spin_pair[iline][6][ilineIn2]
            );

            //copy
            for (iloop = 0; iloop < xBoost->R0; iloop++) {
              for (itmp = 0; itmp < 7; itmp++) {
                xBoost->list_6spin_pair[iloop*xBoost->num_pivot + iline][itmp][ilineIn2]
                  = xBoost->list_6spin_pair[iline][itmp][ilineIn2];
              }
            }
          }
        }

      }

      break;

    case KWSingleExcitation:
      /*singleexcitation.def----------------------------------------*/
      if (X->NNSingleExcitationOperator > 0) {
        if (X->iCalcModel == Spin || X->iCalcModel == SpinGC) {
          fprintf(stderr, "SingleExcitation is not allowed for spin system.\n");
          fclose(fp);
          return ReadDefFileError(defname);
        }
        while (fgetsMPI(ctmp2, 256, fp) != NULL) {
          sscanf(ctmp2, "%d\n", &X->NSingleExcitationOperator[idx]);
          X->SingleExcitationOperator[idx] = (int**)malloc(sizeof(int*)*X->NSingleExcitationOperator[idx]);
          X->ParaSingleExcitationOperator[idx] = (std::complex<double>*)malloc(
            sizeof(std::complex<double>)*X->NSingleExcitationOperator[idx]);
          for (i = 0; i < X->NSingleExcitationOperator[idx]; ++i) {
            fgetsMPI(ctmp2, 256, fp);
            sscanf(ctmp2, "%d %d %d %lf %lf\n",
              &isite1,
              &isigma1,
              &itype,
              &dvalue_re,
              &dvalue_im
            );

            if (CheckSite(isite1, X->Nsite) != 0) {
              fclose(fp);
              return ReadDefFileError(defname);
            }

            X->SingleExcitationOperator[idx][i] = (int*)malloc(sizeof(int) * 3);
            X->SingleExcitationOperator[idx][i][0] = isite1;
            X->SingleExcitationOperator[idx][i][1] = isigma1;
            X->SingleExcitationOperator[idx][i][2] = itype;
            X->ParaSingleExcitationOperator[idx][i] = dvalue_re + I * dvalue_im;
          }/*for (i = 0; i < X->NSingleExcitationOperator[idx]; ++i)*/
          idx++;
        }
        if (idx != X->NNSingleExcitationOperator) {
          fclose(fp);
          return ReadDefFileError(defname);
        }
      }
      break;

    case KWPairExcitation:
      /*pairexcitation.def----------------------------------------*/
      if (X->NNPairExcitationOperator > 0) {
        while (fgetsMPI(ctmp2, 256, fp) != NULL) {
          sscanf(ctmp2, "%d\n", &X->NPairExcitationOperator[idx]);
          X->PairExcitationOperator[idx] = (int**)malloc(sizeof(int*)*X->NPairExcitationOperator[idx]);
          X->ParaPairExcitationOperator[idx] = (std::complex<double>*)malloc(
            sizeof(std::complex<double>)*X->NPairExcitationOperator[idx]);
          for (i = 0; i < X->NPairExcitationOperator[idx]; ++i) {
            fgetsMPI(ctmp2, 256, fp);
            sscanf(ctmp2, "%d %d %d %d %d %lf %lf\n",
              &isite1,
              &isigma1,
              &isite2,
              &isigma2,
              &itype,
              &dvalue_re,
              &dvalue_im
            );
            if (CheckPairSite(isite1, isite2, X->Nsite) != 0) {
              fclose(fp);
              return ReadDefFileError(defname);
            }

            X->PairExcitationOperator[idx][i] = (int*)malloc(sizeof(int) * 5);
            if (itype == 1) {
              X->PairExcitationOperator[idx][i][0] = isite1;
              X->PairExcitationOperator[idx][i][1] = isigma1;
              X->PairExcitationOperator[idx][i][2] = isite2;
              X->PairExcitationOperator[idx][i][3] = isigma2;
              X->PairExcitationOperator[idx][i][4] = itype;
              X->ParaPairExcitationOperator[idx][i] = dvalue_re + I * dvalue_im;
            }
            else {
              X->PairExcitationOperator[idx][i][0] = isite2;
              X->PairExcitationOperator[idx][i][1] = isigma2;
              X->PairExcitationOperator[idx][i][2] = isite1;
              X->PairExcitationOperator[idx][i][3] = isigma1;
              X->PairExcitationOperator[idx][i][4] = itype;
              X->ParaPairExcitationOperator[idx][i] = -(dvalue_re + I * dvalue_im);
            }
          }/*for (i = 0; i < X->NPairExcitationOperator[idx]; ++i)*/
          idx++;
        }
        if (idx != X->NNPairExcitationOperator) {
          fclose(fp);
          return ReadDefFileError(defname);
        }
      }
      break;

    default:
      break;
    }
    fclose(fp);

    switch (iKWidx) {
    case KWCoulombIntra:
    case KWCoulombInter:
    case KWHund:
    case KWPairHop:
    case KWExchange:
    case KWIsing:
    case KWPairLift:
      if (X->iFlgGeneralSpin == TRUE) {
        fprintf(stdoutMPI, "%s", 
          "Error: Use only InterAll for setteing interactions for general spin.\n");
        return(-1);
      }
      break;
    default:
      break;
    }
  }

  ResetInteractionNum(X);
  /*=======================================================================*/
  return 0;
}

ReadDefFileNInt()

int ReadDefFileNInt	(	char *	xNameListFile,
		struct DefineList *	X,
		struct BoostList *	xBoost
	)

Function of reading information about "ModPara" file and total number of parameters from other def files.

Parameters

[in]	xNameListFile	List of Input File names.
[out]	X	Define List for getting flags of calc-mode.
[out]	xBoost	Define List for getting flags of Boost calc-mode.

Return values

0	normally finished reading file.
-1	unnormally finished reading file.

Author

Takahiro Misawa (The University of Tokyo)

Kazuyoshi Yoshimi (The University of Tokyo)

Read Header (5 lines).

Read header name for files about data

Read header name for files about parameters

Read header (1 line).

Read lines.

Definition at line 456 of file readdef.cpp.

References DefineList::CDataFileHead, CheckInterAllHermite(), CheckWords(), cKWListOfFileNameList, DefineList::CParaFileHead, D_iKWNumDef, DefineList::dcOmegaMax, DefineList::dcOmegaMin, DefineList::dcOmegaOrg, ParamList::ExpandCoef, ParamList::ExpecInterval, fgetsMPI(), DefineList::fidx, BoostList::flgBoost, fopenMPI(), GetFileName(), I(), DefineList::iCalcModel, DefineList::iCalcType, DefineList::iFlgGeneralSpin, DefineList::iFlgSpecOmegaMax, DefineList::iFlgSpecOmegaMin, DefineList::iFlgSpecOmegaOrg, DefineList::iFlgSzConserved, DefineList::initial_iv, InitializeInteractionNum(), DefineList::iNOmega, DefineList::irand, BoostList::ishift_nspin, DefineList::k_exct, DefineList::Lanczos_max, DefineList::LanczosEps, DefineList::LanczosTarget, LargeValue, DefineList::NCisAjt, DefineList::NCisAjtCkuAlvDC, DefineList::NCond, DefineList::NCoulombInter, DefineList::NCoulombIntra, DefineList::Ndown, DefineList::NdownMPI, DefineList::NdownOrg, DefineList::Ne, DefineList::NeMPI, DefineList::NExchangeCoupling, DefineList::NHundCoupling, DefineList::NInterAll, DefineList::NIsingCoupling, DefineList::NLaser, DefineList::NLocSpn, DefineList::NNPairExcitationOperator, DefineList::NNSingleExcitationOperator, DefineList::NPairHopping, DefineList::NPairLiftCoupling, DefineList::Nsite, DefineList::NTEInterAllMax, DefineList::NTETimeSteps, DefineList::NTETransferMax, DefineList::NTransfer, BoostList::num_pivot, BoostList::NumarrayJ, NumAve, DefineList::Nup, DefineList::NupMPI, DefineList::NupOrg, DefineList::nvec, ParamList::OutputInterval, DefineList::Param, BoostList::R0, DefineList::READ, DefineList::read_hacker, ReadcalcmodFile(), ReadDefFileError(), stdoutMPI, ParamList::TimeSlice, ParamList::Tinit, DefineList::Total2Sz, ValidateValue(), BoostList::W0, and DefineList::WRITE.

Referenced by main().

{
  FILE *fp;
  char defname[D_FileNameMaxReadDef];
  char ctmp[D_CharTmpReadDef], ctmp2[256];
  int i, itmp;
  int iline = 0;
  X->nvec = 0;
  X->iFlgSpecOmegaMax = FALSE;
  X->iFlgSpecOmegaMin = FALSE;
  X->iFlgSpecOmegaOrg = FALSE;
  X->iNOmega = 1000;
  X->NCond = 0;
  X->iFlgSzConserved = FALSE;
  X->dcOmegaOrg = 0;
  int iReadNCond = FALSE;
  xBoost->flgBoost = FALSE;
  InitializeInteractionNum(X);
  NumAve = 1;
  X->Param.ExpecInterval = 1;
  cFileNameListFile = (char**)malloc(sizeof(char*)*D_iKWNumDef);
  for (i = 0; i < D_iKWNumDef; i++)
    cFileNameListFile[i] = (char*)malloc(sizeof(char)*D_CharTmpReadDef);

  fprintf(stdoutMPI, "  Read File %s.\n", xNameListFile);
  if (GetFileName(xNameListFile, cFileNameListFile) != 0) {
    return(-1);
  }

  /*=======================================================================*/
  int iKWidx = 0;
  //Check the existence of Essensial Files.
  X->READ = 0;
  X->WRITE = 0;

  for (iKWidx = 0; iKWidx < D_iKWNumDef; iKWidx++) {
    strcpy(defname, cFileNameListFile[iKWidx]);
    if (strcmp(defname, "") == 0) {
      switch (iKWidx) {
      case KWCalcMod:
      case KWModPara:
      case KWLocSpin:
        fprintf(stdoutMPI, "Error: Need to make a def file for %s.\n", cKWListOfFileNameList[iKWidx]);
        return(-1);
      default:
        break;
      }
    }
  }

  for (iKWidx = 0; iKWidx < D_iKWNumDef; iKWidx++) {
    strcpy(defname, cFileNameListFile[iKWidx]);

    if (strcmp(defname, "") == 0) continue;
    if (iKWidx == KWSpectrumVec) {
      continue;
    }
    fprintf(stdoutMPI, "  Read File %s for %s.\n", defname, cKWListOfFileNameList[iKWidx]);
    fp = fopenMPI(defname, "r");
    if (fp == NULL) return ReadDefFileError(defname);
    switch (iKWidx) {
    case KWCalcMod:
      /* Read calcmod.def---------------------------------------*/
      if (ReadcalcmodFile(defname, X) != 0) {
        fclose(fp);
        return ReadDefFileError(defname);
      }
      break;

    case KWModPara:
      /* Read modpara.def---------------------------------------*/
      //TODO: add error procedure here when parameters are not enough.
      fgetsMPI(ctmp, sizeof(ctmp) / sizeof(char), fp);
      fgetsMPI(ctmp2, 256, fp);
      sscanf(ctmp2, "%s %d\n", ctmp, &itmp); //2
      fgetsMPI(ctmp, sizeof(ctmp) / sizeof(char), fp); //3
      fgetsMPI(ctmp, sizeof(ctmp) / sizeof(char), fp); //4
      fgetsMPI(ctmp, sizeof(ctmp) / sizeof(char), fp); //5
      fgetsMPI(ctmp2, 256, fp);
      sscanf(ctmp2, "%s %s\n", ctmp, X->CDataFileHead); //6
      fgetsMPI(ctmp2, 256, fp);
      sscanf(ctmp2, "%s %s\n", ctmp, X->CParaFileHead); //7
      fgetsMPI(ctmp, sizeof(ctmp) / sizeof(char), fp);   //8
      double dtmp, dtmp2;
      X->read_hacker = 1;
      while (fgetsMPI(ctmp2, 256, fp) != NULL) {
        if (*ctmp2 == '\n') continue;
        sscanf(ctmp2, "%s %lf %lf\n", ctmp, &dtmp, &dtmp2);
        if (CheckWords(ctmp, "Nsite") == 0) {
          X->Nsite = (int)dtmp;
        }
        else if (CheckWords(ctmp, "Nup") == 0) {
          X->Nup = (int)dtmp;
        }
        else if (CheckWords(ctmp, "Ndown") == 0) {
          X->Ndown = (int)dtmp;
          X->Total2Sz = X->Nup - X->Ndown;
        }
        else if (CheckWords(ctmp, "2Sz") == 0) {
          X->Total2Sz = (int)dtmp;
          X->iFlgSzConserved = TRUE;
        }
        else if (CheckWords(ctmp, "Ncond") == 0) {
          if ((int)dtmp < 0) {
            fprintf(stdoutMPI, "Error in %s\n Ncond must be greater than 0.\n", defname);
            return (-1);
          }
          X->NCond = (int)dtmp;
          iReadNCond = TRUE;
        }
        else if (CheckWords(ctmp, "Lanczos_max") == 0) {
          X->Lanczos_max = (int)dtmp;
        }
        else if (CheckWords(ctmp, "initial_iv") == 0) {
          X->initial_iv = (int)dtmp;
        }
        else if (CheckWords(ctmp, "nvec") == 0) {
          X->nvec = (int)dtmp;
        }
        else if (CheckWords(ctmp, "exct") == 0) {
          X->k_exct = (int)dtmp;
        }
        else if (CheckWords(ctmp, "LanczosEps") == 0) {
          X->LanczosEps = (int)dtmp;
        }
        else if (CheckWords(ctmp, "LanczosTarget") == 0) {
          X->LanczosTarget = (int)dtmp;
        }
        else if (CheckWords(ctmp, "LargeValue") == 0) {
          LargeValue = dtmp;
        }
        else if (CheckWords(ctmp, "NumAve") == 0) {
          NumAve = (int)dtmp;
        }
        else if (strcmp(ctmp, "TimeSlice") == 0) {
          X->Param.TimeSlice = dtmp;
        }
        else if (strcmp(ctmp, "ExpandCoef") == 0) {
          X->Param.ExpandCoef = (int)dtmp;
        }
        else if (strcmp(ctmp, "OutputInterval") == 0) {
          X->Param.OutputInterval = (int)dtmp;
        }
        else if (CheckWords(ctmp, "ExpecInterval") == 0) {
          X->Param.ExpecInterval = (int)dtmp;
        }
        else if (strcmp(ctmp, "Tinit") == 0) {
          X->Param.Tinit = dtmp;
        }
        else if (CheckWords(ctmp, "CalcHS") == 0) {
          X->read_hacker = (int)dtmp;
        }
        else if (CheckWords(ctmp, "OmegaMax") == 0) {
          X->dcOmegaMax = dtmp + dtmp2 * I;
          X->iFlgSpecOmegaMax = TRUE;
        }
        else if (CheckWords(ctmp, "OmegaMin") == 0) {
          X->dcOmegaMin = dtmp + dtmp2 * I;
          X->iFlgSpecOmegaMin = TRUE;
        }
        else if (CheckWords(ctmp, "OmegaIm") == 0) {
          X->dcOmegaOrg += dtmp * I;
          X->iFlgSpecOmegaOrg = TRUE;
        }
        else if (CheckWords(ctmp, "OmegaOrg") == 0) {
          X->dcOmegaOrg += dtmp + dtmp2 * I;
          X->iFlgSpecOmegaOrg = TRUE;
        }
        else if (CheckWords(ctmp, "NOmega") == 0) {
          X->iNOmega = (int)dtmp;
        }
        else if (CheckWords(ctmp, "TargetTPQRand") == 0) {
          X->irand = (int)dtmp;
        }
        else {
          return (-1);
        }
      }
      break;

    case KWLocSpin:
      // Read locspn.def
      X->iFlgGeneralSpin = FALSE;
      fgetsMPI(ctmp, sizeof(ctmp) / sizeof(char), fp);
      fgetsMPI(ctmp2, 256, fp);
      sscanf(ctmp2, "%s %d\n", ctmp, &(X->NLocSpn));
      break;
    case KWTrans:
      // Read transfer.def
      fgetsMPI(ctmp, sizeof(ctmp) / sizeof(char), fp);
      fgetsMPI(ctmp2, 256, fp);
      sscanf(ctmp2, "%s %d\n", ctmp, &(X->NTransfer));
      break;
    case KWCoulombIntra:
      /* Read coulombintra.def----------------------------------*/
      fgetsMPI(ctmp, sizeof(ctmp) / sizeof(char), fp);
      fgetsMPI(ctmp2, 256, fp);
      sscanf(ctmp2, "%s %d\n", ctmp, &(X->NCoulombIntra));
      break;
    case KWCoulombInter:
      /* Read coulombinter.def----------------------------------*/
      fgetsMPI(ctmp, sizeof(ctmp) / sizeof(char), fp);
      fgetsMPI(ctmp2, 256, fp);
      sscanf(ctmp2, "%s %d\n", ctmp, &(X->NCoulombInter));
      break;
    case KWHund:
      /* Read hund.def------------------------------------------*/
      fgetsMPI(ctmp, sizeof(ctmp) / sizeof(char), fp);
      fgetsMPI(ctmp2, 256, fp);
      sscanf(ctmp2, "%s %d\n", ctmp, &(X->NHundCoupling));
      break;
    case KWPairHop:
      /* Read pairhop.def---------------------------------------*/
      fgetsMPI(ctmp, sizeof(ctmp) / sizeof(char), fp);
      fgetsMPI(ctmp2, 256, fp);
      sscanf(ctmp2, "%s %d\n", ctmp, &(X->NPairHopping));
      X->NPairHopping *= 2;
      break;
    case KWExchange:
      /* Read exchange.def--------------------------------------*/
      fgetsMPI(ctmp, sizeof(ctmp) / sizeof(char), fp);
      fgetsMPI(ctmp2, 256, fp);
      sscanf(ctmp2, "%s %d\n", ctmp, &(X->NExchangeCoupling));
      break;
    case KWIsing:
      /* Read ising.def--------------------------------------*/
      fgetsMPI(ctmp, sizeof(ctmp) / sizeof(char), fp);
      fgetsMPI(ctmp2, 256, fp);
      sscanf(ctmp2, "%s %d\n", ctmp, &(X->NIsingCoupling));
      break;
    case KWPairLift:
      /* Read exchange.def--------------------------------------*/
      fgetsMPI(ctmp, sizeof(ctmp) / sizeof(char), fp);
      fgetsMPI(ctmp2, 256, fp);
      sscanf(ctmp2, "%s %d\n", ctmp, &(X->NPairLiftCoupling));
      break;
    case KWInterAll:
      /* Read InterAll.def--------------------------------------*/
      fgetsMPI(ctmp, sizeof(ctmp) / sizeof(char), fp);
      fgetsMPI(ctmp2, 256, fp);
      sscanf(ctmp2, "%s %d\n", ctmp, &(X->NInterAll));
      break;
    case KWOneBodyG:
      /* Read cisajs.def----------------------------------------*/
      fgetsMPI(ctmp, sizeof(ctmp) / sizeof(char), fp);
      fgetsMPI(ctmp2, 256, fp);
      sscanf(ctmp2, "%s %d\n", ctmp, &(X->NCisAjt));
      break;
    case KWTwoBodyG:
      /* Read cisajscktaltdc.def--------------------------------*/
      fgetsMPI(ctmp, sizeof(ctmp) / sizeof(char), fp);
      fgetsMPI(ctmp2, 256, fp);
      sscanf(ctmp2, "%s %d\n", ctmp, &(X->NCisAjtCkuAlvDC));
      break;
    case KWLaser:
      /* Read laser.def--------------------------------*/
      fgetsMPI(ctmp, sizeof(ctmp) / sizeof(char), fp);
      fgetsMPI(ctmp2, 256, fp);
      sscanf(ctmp2, "%s %d\n", ctmp, &(X->NLaser));
      break;

    case KWTEOneBody: {
      if (X->iCalcType != TimeEvolution) break;
      /* Read TEOnebody.def--------------------------------*/
      fgetsMPI(ctmp, sizeof(ctmp) / sizeof(char), fp);
      fgetsMPI(ctmp2, 256, fp);
      sscanf(ctmp2, "%s %d\n", ctmp, &(X->NTETimeSteps));
      fgetsMPI(ctmp2, 256, fp);
      fgetsMPI(ctmp2, 256, fp);
      fgetsMPI(ctmp2, 256, fp);
      int iTETransMax = 0;
      if (X->NTETimeSteps > 0) {
        while (fgetsMPI(ctmp2, 256, fp) != NULL) {
          sscanf(ctmp2, "%lf %d \n", &dtmp, &itmp);
          for (i = 0; i < itmp; ++i) {
            fgetsMPI(ctmp2, 256, fp);
          }
          if (iTETransMax < itmp) iTETransMax = itmp;
        }
      }
      X->NTETransferMax = iTETransMax;
      break;
    }
    case KWTETwoBody: {
      if (X->iCalcType != TimeEvolution) break;
      /* Read TETwobody.def--------------------------------*/
      fgetsMPI(ctmp, sizeof(ctmp) / sizeof(char), fp);
      fgetsMPI(ctmp2, 256, fp);
      sscanf(ctmp2, "%s %d\n", ctmp, &(X->NTETimeSteps));
      fgetsMPI(ctmp2, 256, fp);
      fgetsMPI(ctmp2, 256, fp);
      fgetsMPI(ctmp2, 256, fp);
      int iTEInterAllMax = 0;
      if (X->NTETimeSteps > 0) {
        while (fgetsMPI(ctmp2, 256, fp) != NULL) {
          sscanf(ctmp2, "%lf %d \n", &dtmp, &itmp);
          for (i = 0; i < itmp; ++i) {
            fgetsMPI(ctmp2, 256, fp);
          }
          if (iTEInterAllMax < itmp) iTEInterAllMax = itmp;
        }
      }
      X->NTEInterAllMax = iTEInterAllMax;
      break;
    }

    case KWBoost:
      /* Read boost.def--------------------------------*/
      xBoost->NumarrayJ = 0;
      xBoost->W0 = 0;
      xBoost->R0 = 0;
      xBoost->num_pivot = 0;
      xBoost->ishift_nspin = 0;
      xBoost->flgBoost = TRUE;
      //first line is skipped
      fgetsMPI(ctmp2, 256, fp);
      //read numarrayJ
      fgetsMPI(ctmp2, 256, fp);
      sscanf(ctmp2, "%d\n", &(xBoost->NumarrayJ));
      //skipp arrayJ
      for (iline = 0; iline < xBoost->NumarrayJ * 3; iline++) {
        fgetsMPI(ctmp2, 256, fp);
      }
      //read W0 R0 num_pivot ishift_nspin
      fgetsMPI(ctmp2, 256, fp);
      sscanf(ctmp2, "%ld %ld %ld %ld\n", &(xBoost->W0), &(xBoost->R0), &(xBoost->num_pivot),
        &(xBoost->ishift_nspin));

      break;

    case KWSingleExcitation:
      /* Read singleexcitation.def----------------------------------------*/
      fgetsMPI(ctmp, sizeof(ctmp) / sizeof(char), fp);
      fgetsMPI(ctmp2, 256, fp);
      sscanf(ctmp2, "%s %d\n", ctmp, &(X->NNSingleExcitationOperator));
      break;

    case KWPairExcitation:
      /* Read pairexcitation.def----------------------------------------*/
      fgetsMPI(ctmp, sizeof(ctmp) / sizeof(char), fp);
      fgetsMPI(ctmp2, 256, fp);
      sscanf(ctmp2, "%s %d\n", ctmp, &(X->NNPairExcitationOperator));
      break;

    default:
      fprintf(stdoutMPI, "%s", "Error: incorrect file.\n");
      fclose(fp);
      return (-1);
    }
    /*=======================================================================*/
    fclose(fp);
  }

  //Sz, Ncond
  switch (X->iCalcModel) {
  case Spin:
  case Hubbard:
  case Kondo:
  case SpinlessFermion:

    if (iReadNCond == TRUE) {
      if (X->iCalcModel == Spin) {
        fprintf(stdoutMPI, "For Spin, Ncond should not be defined.\n");
        return(-1);
      }
      else {
        if (X->iFlgSzConserved == TRUE) {
          if (X->iCalcModel == SpinlessFermion) {
            fprintf(stdoutMPI, "  Warning: For Spinless fermion, 2Sz should not be defined.\n");
            X->Ne = X->NCond;
            X->Nup = X->NCond;
            X->Ndown = 0;
            break;
          }
          X->Nup = X->NLocSpn + X->NCond + X->Total2Sz;
          X->Ndown = X->NLocSpn + X->NCond - X->Total2Sz;
          X->Nup /= 2;
          X->Ndown /= 2;
          X->Ne = X->Nup + X->Ndown;
        }
        else {
          if (X->iCalcModel == Hubbard) {
            X->Ne = X->NCond;
            if (X->Ne < 1) {
              fprintf(stdoutMPI, "Ncond is incorrect.\n");
              return(-1);
            }
            X->iCalcModel = HubbardNConserved;
          }
          else if (X->iCalcModel == SpinlessFermion) {
            X->Ne = X->NCond;
            X->Nup = X->NCond;
            X->Ndown = 0;
          }
          else {
            fprintf(stdoutMPI, " 2Sz is not defined.\n");
            return(-1);
          }
        }
      }
    }
    else if (iReadNCond == FALSE && X->iFlgSzConserved == TRUE) {
      if (X->iCalcModel != Spin) {
        fprintf(stdoutMPI, " NCond is not defined.\n");
        return(-1);
      }
      X->Nup = X->NLocSpn + X->Total2Sz;
      X->Ndown = X->NLocSpn - X->Total2Sz;
      X->Nup /= 2;
      X->Ndown /= 2;
    }
    else {
      if (X->Nup == 0 && X->Ndown == 0) {
        if (X->iCalcModel == Spin) {
          fprintf(stdoutMPI, " 2Sz is not defined.\n");
          return(-1);
        }
        else {
          fprintf(stdoutMPI, " NCond is not defined.\n");
          return(-1);
        }
      }
    }

    if (X->iCalcModel == Spin) {
      X->Ne = X->Nup;
    }
    else {
      if (X->Ne == 0) {
        X->Ne = X->Nup + X->Ndown;
      }
      if (X->NLocSpn > X->Ne) {
        fprintf(stdoutMPI, "%s", "Error: Ne=Nup+Ndown must be (Ne >= NLocalSpin).\n");
        fprintf(stdoutMPI, "NLocalSpin=%d, Ne=%d\n", X->NLocSpn, X->Ne);
        return(-1);
      }
    }
    break;
  case SpinGC:
  case KondoGC:
  case HubbardGC:
  case SpinlessFermionGC:
    if (iReadNCond == TRUE || X->iFlgSzConserved == TRUE) {
      fprintf(stdoutMPI, "\n  Warning: For GC, both Ncond and 2Sz should not be defined.\n");
      //return(-1);
    }
    break;
  default:
    break;
  }

  /* Check values (Positive)*/
  if (X->Nsite <= 0) {// Nsite must be positve
    fprintf(stdoutMPI, "Error in %s\n Nsite must be positive value.\n", defname);
    return (-1);
  }
  if (X->Lanczos_max <= 0) {// Lanczos_max must be positive
    fprintf(stdoutMPI, "Error in %s\n Lanczos_max must be positive value.\n", defname);
    return (-1);
  }
  if (X->LanczosEps <= 0) {// Lanczos_eps must be positive
    fprintf(stdoutMPI, "Error in %s\n Lanczos_eps must be positive value.\n", defname);
    return (-1);
  }
  if (NumAve <= 0) { // Average number must be positive
    fprintf(stdoutMPI, "Error in %s\n NumAve must be positive value.\n", defname);
    return (-1);
  }
  if (X->Param.ExpecInterval <= 0) {// Interval to calculate expected values must be positive
    fprintf(stdoutMPI, "Error in %s\n ExpecInterval must be positive value.\n", defname);
    return (-1);
  }
  if (X->nvec == 0) {
    X->nvec = X->Lanczos_max;
  }

  if (X->nvec < X->k_exct) {
    X->nvec = X->k_exct;
  }
  if (X->LanczosTarget < X->k_exct) X->LanczosTarget = X->k_exct;

  if (ValidateValue(X->k_exct, 1, X->nvec)) {
    fprintf(stdoutMPI, "Error in %s \n exct=%d must be greater than 1 and smaller than nvec=%d.\n", 
      defname, X->k_exct, X->nvec);
    return (-1);
  }

  if (X->k_exct > X->LanczosTarget) {
    fprintf(stdoutMPI, "Error in %s\n LanczosTarget=%d must be greater than exct=%d.\n", defname, X->LanczosTarget, X->k_exct);
    return (-1);
  }

  X->fidx = 0;
  X->NeMPI = X->Ne;
  X->NupMPI = X->Nup;
  X->NdownMPI = X->Ndown;
  X->NupOrg = X->Nup;
  X->NdownOrg = X->Ndown;
  return 0;
}

ResetInteractionNum()

void ResetInteractionNum

(

struct DefineList *

X

)

function of resetting number of interactions

Parameters

[out]

X

Define list to add number of ising coulomnb interactions

Version

0.2

Author

Kazuyoshi Yoshimi (The University of Tokyo)

Takahiro Misawa (The University of Tokyo)

Definition at line 2674 of file readdef.cpp.

References InitializeInteractionNum(), DefineList::NCoulombInter, DefineList::NHundCoupling, and DefineList::NIsingCoupling.

Referenced by CheckLocSpin(), and ReadDefFileIdxPara().

{
  X->NHundCoupling += X->NIsingCoupling;
  X->NCoulombInter += X->NIsingCoupling;
}

SetConvergenceFactor()

void SetConvergenceFactor

(

struct DefineList *

X

)

function to set convergence factors

Parameters

[in]

X

Define list to get Lanczos eps.

Version

0.1

Author

Takahiro Misawa (The University of Tokyo)

Kazuyoshi Yoshimi (The University of Tokyo)

Definition at line 2584 of file readdef.cpp.

References CheckLocSpin(), eps, eps_CG, eps_Energy, eps_Lanczos, and DefineList::LanczosEps.

Referenced by CheckFormatForKondoInt(), and main().

{
  //In future, convergence facator can be set by a def file.
  int neps = -8;
  int nepsCG =-8;
  int nEnergy = -12;
  eps=pow(10.0, neps);
  eps_CG=pow(10.0, nepsCG);
  eps_Lanczos     = pow(10,-X->LanczosEps);
  eps_Energy = pow(10.0, nEnergy);
}

ValidateValue()

int ValidateValue	(	const int	icheckValue,
		const int	ilowestValue,
		const int	iHighestValue
	)

Function of Validating value.

Parameters

[in]	icheckValue	value to validate.
[in]	ilowestValue	lowest value which icheckValue can be set.
[in]	iHighestValue	heighest value which icheckValue can be set.

Return values

0	value is correct.
-1	value is incorrect.

Version

0.1

Author

Takahiro Misawa (The University of Tokyo)

Kazuyoshi Yoshimi (The University of Tokyo)

Definition at line 115 of file readdef.cpp.

Referenced by ReadcalcmodFile(), and ReadDefFileNInt().

                   {

  if(icheckValue < ilowestValue || icheckValue > iHighestValue){
    return(-1);
  }
  return 0;
}

Variable Documentation

cFileNameListFile

char** cFileNameListFile

static

File Name List in NameListFile.

Definition at line 65 of file readdef.cpp.

cKWListOfFileNameList

char cKWListOfFileNameList[][D_CharTmpReadDef]

static

Initial value:

={
  "CalcMod",
  "ModPara",
  "LocSpin",
  "Trans",
  "CoulombIntra",
  "CoulombInter",
  "Hund",
  "PairHop",
  "Exchange",
  "InterAll",
  "OneBodyG",
  "TwoBodyG",
  "PairLift",
  "Ising",
  "Boost",
  "SingleExcitation",
  "PairExcitation",
  "SpectrumVec",
  "Laser",
  "TEOneBody",
  "TETwoBody"
}

Keyword List in NameListFile.

Definition at line 36 of file readdef.cpp.

Referenced by GetFileName(), and ReadDefFileNInt().

D_iKWNumDef

int D_iKWNumDef = sizeof(cKWListOfFileNameList)/sizeof(cKWListOfFileNameList[0])

Definition at line 60 of file readdef.cpp.

Referenced by GetFileName(), ReadDefFileIdxPara(), and ReadDefFileNInt().