git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2127 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2008-10-01 15:25:39 +00:00
parent 01f7381bc1
commit 389a54ebb4
6 changed files with 20 additions and 6 deletions

View File

@ -85,6 +85,8 @@ void FixCOM::end_of_step()
double xcm[3];
group->xcm(igroup,masstotal,xcm);
if (me == 0) fprintf(fp,"%d %g %g %g\n",
update->ntimestep,xcm[0],xcm[1],xcm[2]);
if (me == 0) {
fprintf(fp,"%d %g %g %g\n",update->ntimestep,xcm[0],xcm[1],xcm[2]);
fflush(fp);
}
}

View File

@ -86,5 +86,8 @@ void FixGyration::end_of_step()
group->xcm(igroup,masstotal,xcm);
double rg = group->gyration(igroup,masstotal,xcm);
if (me == 0) fprintf(fp,"%d %g\n",update->ntimestep,rg);
if (me == 0) {
fprintf(fp,"%d %g\n",update->ntimestep,rg);
fflush(fp);
}
}

View File

@ -242,8 +242,11 @@ void FixMSD::end_of_step()
msd_all[2] /= nmsd;
msd_all[3] /= nmsd;
if (me == 0) fprintf(fp,"%d %g %g %g %g\n",update->ntimestep,
msd_all[0],msd_all[1],msd_all[2],msd_all[3]);
if (me == 0) {
fprintf(fp,"%d %g %g %g %g\n",update->ntimestep,
msd_all[0],msd_all[1],msd_all[2],msd_all[3]);
fflush(fp);
}
}
/* ----------------------------------------------------------------------

View File

@ -114,6 +114,9 @@ void FixPrint::end_of_step()
if (me == 0) {
if (screenflag && screen) fprintf(screen,copy);
if (screenflag && logfile) fprintf(logfile,copy);
if (fp) fprintf(fp,copy);
if (fp) {
fprintf(fp,copy);
fflush(fp);
}
}
}

View File

@ -323,5 +323,7 @@ void FixRDF::end_of_step()
}
fprintf(fp,"\n");
}
fflush(fp);
}
}

View File

@ -287,6 +287,7 @@ void FixTMD::initial_integrate(int vflag)
fprintf(fp,"%d %g %g %g %g %g %g %g\n",
update->ntimestep,rho_target,rho_old,
gamma_back,gamma_forward,lambda,work_lambda,work_analytical);
fflush(fp);
previous_stat = update->ntimestep;
}
}