readdef.c File Reference

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

#include "Common.h"
#include "readdef.h"
#include <ctype.h>
#include "LogMessage.h"
#include "wrapperMPI.h"
#include "common/setmemory.h"
#include "version_major.h"
#include "version_minor.h"
#include "version_patch.h"

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Functions
int	CheckTETransferHermite (struct DefineList *X, const int NTETransfer, const int idx)
	Check Hermite for TETransfer integrals. More...
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, double complex *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[][D_CharTmpReadDef])
	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...
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	CheckInterAllHermite (int **InterAll, double complex *ParaInterAll, int **InterAllOffDiagonal, double complex *ParaInterAllOffDiagonal, const int NInterAllOffDiagonal, const int iCalcModel)
	function of checking hermite conditions about interall interactions More...
int	GetDiagonalInterAll (int **InterAll, complex double *ParaInterAll, const int NInterAll, int **InterAllDiagonal, double *ParaInterAllDiagonal, int **InterAllOffDiagonal, complex double *ParaInterAllOffDiagonal, int *Chemi, int *SpinChemi, double *ParaChemi, unsigned int *NChemi, const int iCalcModel)
	function of getting diagonal components 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]
int	D_iKWNumDef = sizeof(cKWListOfFileNameList)/sizeof(cKWListOfFileNameList[0])
static char(*	cFileNameListFile )[D_CharTmpReadDef]

Detailed Description

File to define functions of reading input files.

Definition in file readdef.c.

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 2416 of file readdef.c.

References cErrIncorrectFormatForKondoInt, ITINERANT, SetConvergenceFactor(), and stdoutMPI.

Referenced by CheckFormatForSpinInt(), and CheckInterAllCondition().

{
  if (iLocInfo[isite1] != ITINERANT || iLocInfo[isite2] != ITINERANT) {
    if (isite1 != isite2) {
      fprintf(stdoutMPI, cErrIncorrectFormatForKondoInt, isite1, isite2, isite3, isite4);
      return -1;
    }
  }
  if (iLocInfo[isite3] != ITINERANT || iLocInfo[isite4] != ITINERANT) {
    if (isite3 != isite4) {
      fprintf(stdoutMPI, cErrIncorrectFormatForKondoInt, isite1, isite2, isite3, isite4);
      return -1;
    }
  }
  return 0;
}

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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 2388 of file readdef.c.

References CheckFormatForKondoInt(), cWarningIncorrectFormatForSpin, and stdoutMPI.

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

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

  fprintf(stdoutMPI, cWarningIncorrectFormatForSpin, site1, site2, site3, site4);
  return(-1);

}

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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 2597 of file readdef.c.

References cErrIncorrectSpinIndexForInter, CheckSpinIndexForTrans(), FALSE, stdoutMPI, and TRUE.

Referenced by CheckInterAllCondition(), and InitializeInteractionNum().

{
   if( isigma1 > iLocInfo[isite1] || isigma2 >iLocInfo[isite2]
         ||isigma3 > iLocInfo[isite3] || isigma4 >iLocInfo[isite4]){
        fprintf(stdoutMPI, "%s", cErrIncorrectSpinIndexForInter);
        return FALSE;
    }
  return TRUE;
}

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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 2746 of file readdef.c.

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

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;
}

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CheckInterAllHermite()

int CheckInterAllHermite	(	int **	InterAll,
		double complex *	ParaInterAll,
		int **	InterAllOffDiagonal,
		double complex *	ParaInterAllOffDiagonal,
		const int	NInterAllOffDiagonal,
		const int	iCalcModel
	)

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 2023 of file readdef.c.

References cErrNonHermiteInterAll, eps_CheckImag0, FALSE, GetDiagonalInterAll(), stdoutMPI, and TRUE.

Referenced by CheckTransferHermite(), and ReadDefFileIdxPara().

          {
  unsigned 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;
  unsigned int itmpIdx, icntHermite;
  int icheckHermiteCount = FALSE;
  double complex 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 = cabs(ParaInterAllOffDiagonal[i] - conj(ParaInterAllOffDiagonal[j]));

          if (cabs(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 (cabs(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, cErrNonHermiteInterAll, isite1, isigma1, isite2, isigma2, isite3, isigma3, isite4, isigma4,
              creal(ParaInterAllOffDiagonal[i]), cimag(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;
}

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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 154 of file readdef.c.

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;
}

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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 2475 of file readdef.c.

References CheckTotal2Sz(), FALSE, DefineList::iCalcModel, DefineList::iFlgGeneralSpin, ITINERANT, LOCSPIN, DefineList::LocSpn, DefineList::Nsite, ResetInteractionNum(), and TRUE.

Referenced by ReadDefFileIdxPara(), and SetConvergenceFactor().

{

  unsigned 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;
}  

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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 1845 of file readdef.c.

References CheckSite().

Referenced by CheckQuadSite(), and ReadDefFileIdxPara().

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

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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 1873 of file readdef.c.

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;
}

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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 1825 of file readdef.c.

Referenced by CheckPairSite(), and ReadDefFileIdxPara().

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

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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 2624 of file readdef.c.

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

Referenced by CheckGeneralSpinIndexForInterAll(), and ReadDefFileIdxPara().

{
  unsigned 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", cErrIncorrectSpinIndexForTrans);
        return FALSE;
      }
    }
  }
  return TRUE;
}

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CheckTETransferHermite()

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

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 2863 of file readdef.c.

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

Referenced by InputInterAllInfo(), and ReadDefFileIdxPara().

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

  double  complex ddiff_trans;
  unsigned int itmpIdx, icntHermite, icntchemi;
  icntHermite=0;
  icntchemi=0;

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

  //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(cabs(ddiff_trans) > eps_CheckImag0 ){
            itmperrsite1=itmpsite1;
            itmperrsigma1=itmpsigma1;
            itmperrsite2=itmpsite2;
            itmperrsigma2=itmpsigma2;
            dcerrTrans=tmp_paraTETransfer[j];
            fprintf(stdoutMPI, cErrNonHermiteTrans, isite1, isigma1, isite2, isigma2, creal(tmp_paraTETransfer[i]), cimag(tmp_paraTETransfer[i]));
            fprintf(stdoutMPI, cErrNonHermiteTrans, itmperrsite1, itmperrsigma1, itmperrsite2, itmperrsigma2, creal(dcerrTrans), cimag(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] = creal(tmp_paraTETransfer[i]);
                  icntchemi+=1;
                }
              }
              icheckHermiteCount = TRUE;
            }
          }
        }
      }
    }

    //if counterpart for satisfying hermite conjugate does not exist.
    if(icheckHermiteCount == FALSE){
      fprintf(stdoutMPI, cErrNonHermiteTrans, isite1, isigma1, isite2, isigma2, creal(tmp_paraTETransfer[i]), cimag(tmp_paraTETransfer[i]));
      iCount++;
      //fprintf(stdoutMPI, cErrNonHermiteTrans, itmperrsite1, itmperrsigma1, itmperrsite2, itmperrsigma2, creal(dcerrTrans), cimag(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;
}

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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 2657 of file readdef.c.

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

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;
}

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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 1902 of file readdef.c.

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

Referenced by CheckQuadSite(), and ReadDefFileIdxPara().

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

  double  complex ddiff_trans;
  unsigned 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;
   // fprintf(stdoutMPI, "Debug: isite1=%d, isigma1=%d, isite2=%d, isigma2=%d, reTrans=%lf, imTrans = %lf\n",
   //         isite1, isigma1, isite2, isigma2, creal(X->ParaGeneralTransfer[i]), cimag((X->ParaGeneralTransfer[i])));
    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(cabs(ddiff_trans) > eps_CheckImag0 ){
            itmperrsite1=itmpsite1;
            itmperrsigma1=itmpsigma1;
            itmperrsite2=itmpsite2;
            itmperrsigma2=itmpsigma2;
            dcerrTrans=X->ParaGeneralTransfer[j];
            fprintf(stdoutMPI, cErrNonHermiteTrans, isite1, isigma1, isite2, isigma2, creal(X->ParaGeneralTransfer[i]), cimag(X->ParaGeneralTransfer[i]));
            fprintf(stdoutMPI, cErrNonHermiteTrans, itmperrsite1, itmperrsigma1, itmperrsite2, itmperrsigma2, creal(dcerrTrans), cimag(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] = creal(X->ParaGeneralTransfer[i]);
                  icntchemi+=1;
                }
              }
              icheckHermiteCount = TRUE;
            }
          }
        }  
      
      }
    }

    //if counterpart for satisfying hermite conjugate does not exist.
    if(icheckHermiteCount == FALSE){
      fprintf(stdoutMPI, cErrNonHermiteTrans, isite1, isigma1, isite2, isigma2, creal(X->ParaGeneralTransfer[i]), cimag(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;
}

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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 2684 of file readdef.c.

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

{
  unsigned int i=0;

  char ctmp_small[256]={0};
  char cKW_small[256]={0};
  unsigned int n;
  n=strlen(cKeyWord);
  strncpy(cKW_small, cKeyWord, n);

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

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GetDiagonalInterAll()

int GetDiagonalInterAll	(	int **	InterAll,
		complex double *	ParaInterAll,
		const int	NInterAll,
		int **	InterAllDiagonal,
		double *	ParaInterAllDiagonal,
		int **	InterAllOffDiagonal,
		complex double *	ParaInterAllOffDiagonal,
		int *	Chemi,
		int *	SpinChemi,
		double *	ParaChemi,
		unsigned 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 2166 of file readdef.c.

References cErrNonConservedInterAll, JudgeDefType(), and stdoutMPI.

Referenced by CheckInterAllHermite(), and ReadDefFileIdxPara().

{
  unsigned 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] = creal(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] = -creal(ParaInterAll[i]);
      Chemi[*NChemi]     = isite1;
      SpinChemi[*NChemi] = isigma1;
      //transfer integral has minus sign for default setting
      ParaChemi[*NChemi] = -creal(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, cErrNonConservedInterAll,
                      isite1,
                      isigma1,
                      isite2,
                      isigma2,
                      isite3,
                      isigma3,
                      isite4,
                      isigma4,
                      creal(ParaInterAll[i]),
                      cimag(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;
}

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GetFileName()

int GetFileName	(	const char *	cFileListNameFile,
		char	cFileNameList[][D_CharTmpReadDef]
	)

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 395 of file readdef.c.

References cErrKW, cErrKW_InCorPair, cErrKW_Same, cErrKW_ShowList, 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, cErrKW_InCorPair, cFileListNameFile);
      fclose(fplist);
      return(-1);
    }
    if( CheckKW(ctmpKW, cKWListOfFileNameList, D_iKWNumDef, &itmpKWidx)!=0 ){
      fprintf(stdoutMPI, cErrKW, ctmpKW, cFileListNameFile);
      fprintf(stdoutMPI, "%s", cErrKW_ShowList);
      for(i=0; i<D_iKWNumDef;i++){
        fprintf(stdoutMPI, "%s \n", cKWListOfFileNameList[i]);
      }
      fclose(fplist);
      return(-1);
    }
    if(strcmp(cFileNameList[itmpKWidx], "") !=0){
      fprintf(stdoutMPI, cErrKW_Same, cFileListNameFile);
      fclose(fplist);
      return(-1);
    }

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

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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 2715 of file readdef.c.

References cFileNameListFile.

Referenced by CalcByTEM(), and CalcSpectrum().

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

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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 187 of file readdef.c.

References cErrDefFileFormat, and 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, cErrDefFileFormat, cerror);
    return(-1);
  }

  ctmpRead = strtok( NULL, csplit );
  if(ctmpRead != NULL){
    fprintf(stdoutMPI, cErrDefFileFormat, ctmpRead);
    return(-1);
  }
    
  return 0;
}

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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 2556 of file readdef.c.

References CheckGeneralSpinIndexForInterAll(), DefineList::NCisAjt, DefineList::NCisAjtCkuAlvDC, DefineList::NCoulombInter, DefineList::NCoulombIntra, DefineList::NInterAll, DefineList::NIsingCoupling, DefineList::NLaser, DefineList::NPairExcitationOperator, DefineList::NPairLiftCoupling, DefineList::NSingleExcitationOperator, DefineList::NTEInterAll, DefineList::NTETimeSteps, DefineList::NTETransfer, and DefineList::NTransfer.

Referenced by ReadDefFileNInt(), and ResetInteractionNum().

{
  X->NTransfer=0;
  X->NCoulombIntra=0;
  X->NCoulombInter=0;
  X->NIsingCoupling=0;
  X->NPairLiftCoupling=0;
  X->NInterAll=0;
  X->NCisAjt=0;
  X->NCisAjtCkuAlvDC=0;
  X->NSingleExcitationOperator=0;
  X->NPairExcitationOperator=0;
  //[s] Time Evolution
  X->NTETimeSteps=0;
  X->NLaser=0;
  X->NTEInterAll=0;
  X->NTETransfer=0;
  //[e] Time Evolution

}

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InputInterAllInfo()

int InputInterAllInfo	(	int *	icnt_interall,
		int **	iInterAllInfo,
		double complex *	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 2804 of file readdef.c.

References CheckTETransferHermite().

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;
}

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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 2316 of file readdef.c.

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

Referenced by GetDiagonalInterAll(), and main().

{
   int ver_maj =
#include "version_major.h"
;
   int ver_min =
#include "version_minor.h"
;
   int ver_pat =
#include "version_patch.h"
;

  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, cErrArgv, argv[1]);*/
    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;
}

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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 230 of file readdef.c.

References cErrCalcEigenVec, cErrCalcType, cErrCUDA, cErrDefFileParam, cErrFiniteTemp, cErrInputHam, cErrInputOutputHam, cErrOutputHam, cErrOutputHamForFullDiag, cErrOutputMode, cErrRestart, cErrSetIniVec, 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, TRUE, 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;
    }
    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, cErrDefFileParam, defname, ctmp);
      return(-1);
    }
  }
  fclose(fp);
    
  /* Check values*/
  if(ValidateValue(X->iCalcModel, 0, NUM_CALCMODEL-1)){
    fprintf(stdoutMPI, cErrCalcType, defname);
    return (-1);
  }
  if(ValidateValue(X->iCalcType, 0, NUM_CALCTYPE-1)){
    fprintf(stdoutMPI, cErrCalcType, defname);
    return (-1);
  }
  if(ValidateValue(X->iOutputMode, 0, NUM_OUTPUTMODE-1)){
    fprintf(stdoutMPI, cErrOutputMode, defname);
    return (-1);
  }
  
  if(ValidateValue(X->iCalcEigenVec, -1, NUM_CALCEIGENVEC-1)){
    fprintf(stdoutMPI, cErrCalcEigenVec, defname);
    return (-1);
  }
  
  if(ValidateValue(X->iInitialVecType, 0, NUM_SETINITAILVEC-1)){
    fprintf(stdoutMPI, cErrSetIniVec, defname);
    return (-1);
  }

  if(ValidateValue(X->iOutputHam, 0, NUM_OUTPUTHAM-1)){
    fprintf(stdoutMPI, cErrOutputHam, defname);
    return (-1);
  }
  if(ValidateValue(X->iInputHam, 0, NUM_INPUTHAM-1)){
    fprintf(stdoutMPI, cErrInputHam, defname);
    return (-1);
  }
  if(X->iInputHam == 1 && X->iOutputHam==1){
    fprintf(stdoutMPI, cErrInputOutputHam, defname);
    return (-1);
  }
  if(ValidateValue(X->iReStart, 0, NUM_RESTART-1)){
    fprintf(stdoutMPI, cErrRestart, defname);
    return (-1);
  }
  if(X->iNGPU < 0){
    fprintf(stdoutMPI, cErrCUDA, defname);
    return (-1);
  }
  if(ValidateValue(X->iFlgScaLAPACK, 0, 1)){
    fprintf(stdoutMPI, cErrCUDA, defname);
    return (-1);
  }

  /* In the case of Full Diagonalization method(iCalcType=2)*/
  if(X->iCalcType==2 && ValidateValue(X->iFlgFiniteTemperature, 0, 1)){
    fprintf(stdoutMPI, cErrFiniteTemp, defname);
    return (-1);
  }

  if(X->iCalcType !=2 && X->iOutputHam ==TRUE) {
    fprintf(stdoutMPI, cErrOutputHamForFullDiag, defname);
    return (-1);
  }

  return 0;
}

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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 112 of file readdef.c.

References cErrReadDefFile, and stdoutMPI.

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

                      {
  fprintf(stdoutMPI, cErrReadDefFile, defname);
  return (-1);
}

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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 980 of file readdef.c.

References BoostList::arrayJ, cErrIncorrectFormatForKondoTrans, cErrIncorrectFormatInter, cErrNonHermiteInterAllForAll, cErrNonHermiteTrans, cErrNonHermiteTransForAll, cFileNameListFile, CheckFormatForSpinInt(), CheckInterAllCondition(), CheckInterAllHermite(), CheckLocSpin(), CheckPairSite(), CheckQuadSite(), CheckSite(), CheckSpinIndexForTrans(), CheckTETransferHermite(), CheckTransferHermite(), DefineList::CisAjt, DefineList::CisAjtCkuAlvDC, DefineList::CoulombInter, DefineList::CoulombIntra, cReadFileNamelist, cWarningIncorrectFormatForSpin2, D_iKWNumDef, DefineList::EDChemi, DefineList::EDNChemi, DefineList::EDParaChemi, DefineList::EDSpinChemi, eps_CheckImag0, DefineList::ExchangeCoupling, exitMPI(), FALSE, fgetsMPI(), fopenMPI(), DefineList::GeneralTransfer, GetDiagonalInterAll(), DefineList::HundCoupling, DefineList::iCalcModel, DefineList::iFlgGeneralSpin, InputInterAllInfo(), DefineList::InterAll, DefineList::InterAll_Diagonal, DefineList::InterAll_OffDiagonal, ITINERANT, 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::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, TRUE, and BoostList::vecB.

Referenced by main().

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

  unsigned int i,j, 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);
  unsigned 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 iflg_interall=0;

  unsigned int iloop=0;

  for(iKWidx=KWLocSpin; iKWidx< D_iKWNumDef; iKWidx++){
    strcpy(defname, cFileNameListFile[iKWidx]);
    if(strcmp(defname,"")==0 || iKWidx==KWSpectrumVec) continue;
    fprintf(stdoutMPI, cReadFileNamelist, 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, cErrNonHermiteTrans, isite1, isigma1, isite2, isigma2, dvalue_re, dvalue_im);
                fclose(fp);
                return ReadDefFileError(defname);
              }
            }

            if(X->iCalcModel==Spin){
              if(isite1 != isite2){
                iboolLoc=1;
                fprintf(stdoutMPI, cWarningIncorrectFormatForSpin2, isite1, isite2);
              }
            }
            else if(X->iCalcModel==Kondo){
              if(X->LocSpn[isite1]!=ITINERANT || X->LocSpn[isite2] !=ITINERANT){
                if(isite1 != isite2){
                  iboolLoc=1;
                  fprintf(stdoutMPI, cErrIncorrectFormatForKondoTrans, isite1, isite2);
                }
              }
            }
            else if(X->iCalcModel==SpinlessFermion || X->iCalcModel==SpinlessFermionGC){
              if(isigma1 != 0 || isigma2 !=0){
                //Not allowed
                fprintf(stderr, cErrNonHermiteTrans, 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", cErrNonHermiteTransForAll);
        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;

/*
        setmem_IntAll_Diagonal(
                  X->InterAll_OffDiagonal, X->ParaInterAll_OffDiagonal,
                  X->InterAll_Diagonal, X->ParaInterAll_Diagonal, NInterAllSet);
*/
        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", cErrNonHermiteInterAllForAll);
          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, cWarningIncorrectFormatForSpin2, 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", cErrNonHermiteInterAllForAll);
              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->NSingleExcitationOperator>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 %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][0] = isite1;
          X->SingleExcitationOperator[idx][1] = isigma1;
          X->SingleExcitationOperator[idx][2] = itype;
          X->ParaSingleExcitationOperator[idx] = dvalue_re + I * dvalue_im;
          idx++;
        }
        if (idx != X->NSingleExcitationOperator) {
          fclose(fp);
          return ReadDefFileError(defname);
        }
      }
      break;

    case KWPairExcitation:
      /*pairexcitation.def----------------------------------------*/
      if(X->NPairExcitationOperator>0) {
        while (fgetsMPI(ctmp2, 256, fp) != NULL) {
          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);
          }

          if(itype==1){
            X->PairExcitationOperator[idx][0] = isite1;
            X->PairExcitationOperator[idx][1] = isigma1;
            X->PairExcitationOperator[idx][2] = isite2;
            X->PairExcitationOperator[idx][3] = isigma2;
            X->PairExcitationOperator[idx][4] = itype;
            X->ParaPairExcitationOperator[idx] = dvalue_re + I * dvalue_im;
          }
          else{
            X->PairExcitationOperator[idx][0] = isite2;
            X->PairExcitationOperator[idx][1] = isigma2;
            X->PairExcitationOperator[idx][2] = isite1;
            X->PairExcitationOperator[idx][3] = isigma1;
            X->PairExcitationOperator[idx][4] = itype;
            X->ParaPairExcitationOperator[idx] = -(dvalue_re + I * dvalue_im);
          }

          idx++;
        }
        if (idx != X->NPairExcitationOperator) {
          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", cErrIncorrectFormatInter);
        return(-1);
      }
      break;
    default:
      break;
    }
  }

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

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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 460 of file readdef.c.

References DefineList::CDataFileHead, cErrExpecInterval, cErrIncorrectDef, cErrLanczos_eps, cErrLanczos_max, cErrLanczosExct, cErrLanczosTarget, cErrMakeDef, cErrNcond, cErrNLoc, cErrNsite, cErrNumAve, cFileNameListFile, CheckWords(), cKWListOfFileNameList, DefineList::CParaFileHead, cReadFile, cReadFileNamelist, D_iKWNumDef, DefineList::dcOmegaMax, DefineList::dcOmegaMin, DefineList::dcOmegaOrg, ParamList::ExpandCoef, ParamList::ExpecInterval, FALSE, fgetsMPI(), DefineList::fidx, BoostList::flgBoost, fopenMPI(), GetFileName(), 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::NPairExcitationOperator, DefineList::NPairHopping, DefineList::NPairLiftCoupling, DefineList::NSingleExcitationOperator, 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, TRUE, ValidateValue(), BoostList::W0, and DefineList::WRITE.

Referenced by main().

{
  FILE *fp;
  char defname[D_FileNameMaxReadDef];
  char ctmp[D_CharTmpReadDef], ctmp2[256];
  int i,itmp;
  unsigned 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 = malloc(sizeof(char)*D_CharTmpReadDef*D_iKWNumDef);

  fprintf(stdoutMPI, cReadFileNamelist, 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, cErrMakeDef, 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, cReadFile, 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, cErrNcond, 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->NSingleExcitationOperator));
      break;

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

    default:
      fprintf(stdoutMPI, "%s", cErrIncorrectDef);
      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;
        }
        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", cErrNLoc);
        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, cErrNsite, defname);
      return (-1);
    }
    if(X->Lanczos_max<=0) {// Lanczos_max must be positive
      fprintf(stdoutMPI, cErrLanczos_max, defname);
      return (-1);
    }
    if(X->LanczosEps<=0) {// Lanczos_eps must be positive
      fprintf(stdoutMPI, cErrLanczos_eps, defname);
      return (-1);
    }
    if(NumAve<=0) { // Average number must be positive
      fprintf(stdoutMPI, cErrNumAve, defname);
      return (-1);
    }
    if(X->Param.ExpecInterval<=0){// Interval to calculate expected values must be positive
      fprintf(stdoutMPI, cErrExpecInterval, 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, cErrLanczosExct, defname, X->nvec);
      return (-1);
    }

    if( X->k_exct>X->LanczosTarget ){
      fprintf(stdoutMPI, cErrLanczosTarget, 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;
}

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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 2539 of file readdef.c.

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

Referenced by CheckLocSpin(), and ReadDefFileIdxPara().

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

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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 2446 of file readdef.c.

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 nbisec =-14;
  int nEnergy = -12;
  int nShiftBeta=8;
  int nepsvec12=-14;
  eps=pow(10.0, neps);
  eps_CG=pow(10.0, nepsCG);
  eps_Lanczos     = pow(10,-X->LanczosEps);
  eps_Energy = pow(10.0, nEnergy);
}

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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 130 of file readdef.c.

Referenced by ReadcalcmodFile(), and ReadDefFileNInt().

                   {

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

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Variable Documentation

cFileNameListFile

char(* cFileNameListFile)[D_CharTmpReadDef]

static

File Name List in NameListFile.

Definition at line 75 of file readdef.c.

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

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 46 of file readdef.c.

Referenced by GetFileName(), and ReadDefFileNInt().

D_iKWNumDef

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

Definition at line 70 of file readdef.c.

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