Commit 9f785a4f authored by Axel Kohlmeyer's avatar Axel Kohlmeyer
Browse files

detect and error out on unsupported/old bop potential files

parent a19f550c

src/MANYBODY/pair_bop.cpp

+4 −3
Original line number Diff line number Diff line
@@ -5035,11 +5035,12 @@ void PairBOP::read_table(char *filename) 
      sscanf(s,"%d %d %d",&nr,&ntheta,&nBOt);

      npower=2;

      if(ntheta<=10) npower=ntheta;

    }

    else {

    } else if (nws==2) {

      sscanf(s,"%d %d",&nr,&nBOt);

      ntheta=0;

      npower=3;

    } else {

      error->one(FLERR,"Unsupported BOP potential file format");

    }

    fclose(fp);

    npairs=bop_types*(bop_types+1)/2;

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