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

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sjplimp
2008-05-09 15:01:25 +00:00
parent abd1a21de3
commit f2c1ad7ea1
4 changed files with 8 additions and 8 deletions
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6
src/fix_ave_spatial.cpp
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@ -242,9 +242,9 @@ FixAveSpatial::FixAveSpatial(LAMMPS *lmp, int narg, char **arg) :
// print header into file // print header into file
if (fp && me == 0) { if (fp && me == 0) {
fprintf(fp,"Spatial-averaged data for fix %s and group %s\n",id,arg[1]); fprintf(fp,"# Spatial-averaged data for fix %s and group %s\n",id,arg[1]);
fprintf(fp,"TimeStep Number-of-layers\n"); fprintf(fp,"# TimeStep Number-of-layers\n");
fprintf(fp,"Layer Coordinate Natoms"); fprintf(fp,"# Layer Coordinate Natoms");
for (int i = 0; i < nvalues; i++) for (int i = 0; i < nvalues; i++)
if (which[i] == COMPUTE) fprintf(fp," c_%s",ids[i]); if (which[i] == COMPUTE) fprintf(fp," c_%s",ids[i]);
else if (which[i] == FIX) fprintf(fp," f_%s",ids[i]); else if (which[i] == FIX) fprintf(fp," f_%s",ids[i]);

4
src/fix_ave_time.cpp
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@ -167,8 +167,8 @@ FixAveTime::FixAveTime(LAMMPS *lmp, int narg, char **arg) :
// print header into file // print header into file
if (fp && me == 0) { if (fp && me == 0) {
fprintf(fp,"Time-averaged data for fix %s\n",id); fprintf(fp,"# Time-averaged data for fix %s\n",id);
fprintf(fp,"TimeStep"); fprintf(fp,"# TimeStep");
for (int i = 0; i < nvalues; i++) for (int i = 0; i < nvalues; i++)
if (which[i] == COMPUTE) fprintf(fp," c_%s",ids[i]); if (which[i] == COMPUTE) fprintf(fp," c_%s",ids[i]);
else if (which[i] == FIX) fprintf(fp," f_%s",ids[i]); else if (which[i] == FIX) fprintf(fp," f_%s",ids[i]);

4
src/fix_com.cpp
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@ -42,8 +42,8 @@ FixCOM::FixCOM(LAMMPS *lmp, int narg, char **arg) :
} }
if (me == 0) { if (me == 0) {
fprintf(fp,"Center-of-mass for group %s\n",group->names[igroup]); fprintf(fp,"# Center-of-mass for group %s\n",group->names[igroup]);
fprintf(fp,"TimeStep x y z\n"); fprintf(fp,"# TimeStep x y z\n");
} }
} }

2
src/fix_tmd.cpp
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@ -78,7 +78,7 @@ FixTMD::FixTMD(LAMMPS *lmp, int narg, char **arg) :
sprintf(str,"Cannot open fix tmd file %s",arg[6]); sprintf(str,"Cannot open fix tmd file %s",arg[6]);
error->one(str); 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"); "gamma_forward lambda work_lambda work_analytical");
} }
} }