Commit f2c1ad7e authored by sjplimp's avatar sjplimp
Browse files 

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1782 f3b2605a-c512-4ea7-a41b-209d697bcdaa
parent abd1a21d

src/fix_ave_spatial.cpp

+3 −3
Original line number Diff line number Diff line
@@ -242,9 +242,9 @@ FixAveSpatial::FixAveSpatial(LAMMPS *lmp, int narg, char **arg) : 
  // print header into file



  if (fp && me == 0) {

    fprintf(fp,"Spatial-averaged data for fix %s and group %s\n",id,arg[1]);

    fprintf(fp,"TimeStep Number-of-layers\n");

    fprintf(fp,"Layer Coordinate Natoms");

    fprintf(fp,"# Spatial-averaged data for fix %s and group %s\n",id,arg[1]);

    fprintf(fp,"# TimeStep Number-of-layers\n");

    fprintf(fp,"# Layer Coordinate Natoms");

    for (int i = 0; i < nvalues; i++)

      if (which[i] == COMPUTE) fprintf(fp," c_%s",ids[i]);

      else if (which[i] == FIX) fprintf(fp," f_%s",ids[i]);

src/fix_ave_time.cpp

+2 −2
Original line number Diff line number Diff line
@@ -167,8 +167,8 @@ FixAveTime::FixAveTime(LAMMPS *lmp, int narg, char **arg) : 
  // print header into file



  if (fp && me == 0) {

    fprintf(fp,"Time-averaged data for fix %s\n",id);

    fprintf(fp,"TimeStep");

    fprintf(fp,"# Time-averaged data for fix %s\n",id);

    fprintf(fp,"# TimeStep");

    for (int i = 0; i < nvalues; i++)

      if (which[i] == COMPUTE) fprintf(fp," c_%s",ids[i]);

      else if (which[i] == FIX) fprintf(fp," f_%s",ids[i]);

src/fix_com.cpp

+2 −2
Original line number Diff line number Diff line
@@ -42,8 +42,8 @@ FixCOM::FixCOM(LAMMPS *lmp, int narg, char **arg) : 
  }



  if (me == 0) {

    fprintf(fp,"Center-of-mass for group %s\n",group->names[igroup]);

    fprintf(fp,"TimeStep x y z\n");

    fprintf(fp,"# Center-of-mass for group %s\n",group->names[igroup]);

    fprintf(fp,"# TimeStep x y z\n");

  }

}

src/fix_tmd.cpp

+1 −1
Original line number Diff line number Diff line
@@ -78,7 +78,7 @@ FixTMD::FixTMD(LAMMPS *lmp, int narg, char **arg) : 
	sprintf(str,"Cannot open fix tmd file %s",arg[6]);

	error->one(str);

      }

      fprintf(fp,"%s %s\n","Step rho_target rho_old gamma_back",

      fprintf(fp,"%s %s\n","# Step rho_target rho_old gamma_back",

	      "gamma_forward lambda work_lambda work_analytical");

    }

  }

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