Add new calculation mode into calcmod

You can set a new calculation mode with a new keyword in calcmod file by following way.

• Define a new variable corresponding to the new calculation mode in struct.h file.
• The value with the keyword are read by ReadcalcmodFile function in readdef.cpp.

In the following, we describe the detail of the flow of setting the calculation mode.

1. Set initial value at the beginning of ReadcalcmodFile function.

   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->iFlgCalcSpec=0;
   X->iReStart=0;
   X->iFlgMPI=0;

2. Each line is read by fgetsMPI function. GetKWWithIdx function reads ctmp = keyword, itmp=index.

   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;
    }
   ...
   }

3. The line is divided into keyword and number by using CheckWords function.

   For example, when you add new key word "NTest", you can get the value as follows:

   if (CheckWords(ctmp, "NTest") == 0) {
           X->NTest = (int) dtmp;
         }

See also

ReadcalcmodFile, CheckWords