forked from lijiext/lammps
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2127 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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01f7381bc1
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@ -85,6 +85,8 @@ void FixCOM::end_of_step()
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double xcm[3];
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group->xcm(igroup,masstotal,xcm);
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if (me == 0) fprintf(fp,"%d %g %g %g\n",
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update->ntimestep,xcm[0],xcm[1],xcm[2]);
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if (me == 0) {
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fprintf(fp,"%d %g %g %g\n",update->ntimestep,xcm[0],xcm[1],xcm[2]);
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fflush(fp);
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}
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}
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@ -86,5 +86,8 @@ void FixGyration::end_of_step()
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group->xcm(igroup,masstotal,xcm);
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double rg = group->gyration(igroup,masstotal,xcm);
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if (me == 0) fprintf(fp,"%d %g\n",update->ntimestep,rg);
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if (me == 0) {
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fprintf(fp,"%d %g\n",update->ntimestep,rg);
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fflush(fp);
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}
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}
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@ -242,8 +242,11 @@ void FixMSD::end_of_step()
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msd_all[2] /= nmsd;
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msd_all[3] /= nmsd;
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if (me == 0) fprintf(fp,"%d %g %g %g %g\n",update->ntimestep,
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msd_all[0],msd_all[1],msd_all[2],msd_all[3]);
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if (me == 0) {
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fprintf(fp,"%d %g %g %g %g\n",update->ntimestep,
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msd_all[0],msd_all[1],msd_all[2],msd_all[3]);
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fflush(fp);
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}
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}
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/* ----------------------------------------------------------------------
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@ -114,6 +114,9 @@ void FixPrint::end_of_step()
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if (me == 0) {
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if (screenflag && screen) fprintf(screen,copy);
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if (screenflag && logfile) fprintf(logfile,copy);
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if (fp) fprintf(fp,copy);
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if (fp) {
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fprintf(fp,copy);
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fflush(fp);
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}
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}
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}
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@ -323,5 +323,7 @@ void FixRDF::end_of_step()
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}
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fprintf(fp,"\n");
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}
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fflush(fp);
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}
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}
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@ -287,6 +287,7 @@ void FixTMD::initial_integrate(int vflag)
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fprintf(fp,"%d %g %g %g %g %g %g %g\n",
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update->ntimestep,rho_target,rho_old,
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gamma_back,gamma_forward,lambda,work_lambda,work_analytical);
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fflush(fp);
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previous_stat = update->ntimestep;
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}
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}
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