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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8087 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2012-05-17 23:58:52 +00:00
parent f3ec23a220
commit 173c6e393d
1 changed files with 10 additions and 10 deletions
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20
src/REPLICA/neb.cpp
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@ -487,23 +487,23 @@ void NEB::print_status()
if (me_universe == 0) {
if (universe->uscreen) {
fprintf(universe->uscreen,BIGINT_FORMAT " %g %g ",update->ntimestep,
fmaxreplica,fmaxatom);
fprintf(universe->uscreen,"%g %g %g ",
fprintf(universe->uscreen,BIGINT_FORMAT " %12.8g %12.8g ",
update->ntimestep,fmaxreplica,fmaxatom);
fprintf(universe->uscreen,"%12.8g %12.8g %12.8g ",
gradvnorm0,gradvnorm1,gradvnormc);
fprintf(universe->uscreen,"%g %g %g ",ebf,ebr,endpt);
fprintf(universe->uscreen,"%12.8g %12.8g %12.8g ",ebf,ebr,endpt);
for (int i = 0; i < nreplica; i++)
fprintf(universe->uscreen,"%g %g ",rdist[i],all[i][0]);
fprintf(universe->uscreen,"%12.8g %12.8g ",rdist[i],all[i][0]);
fprintf(universe->uscreen,"\n");
}
if (universe->ulogfile) {
fprintf(universe->ulogfile,BIGINT_FORMAT " %g %g ",update->ntimestep,
fmaxreplica,fmaxatom);
fprintf(universe->ulogfile,"%g %g %g ",
fprintf(universe->ulogfile,BIGINT_FORMAT " %12.8g %12.8g ",
update->ntimestep,fmaxreplica,fmaxatom);
fprintf(universe->ulogfile,"%12.8g %12.8g %12.8g ",
gradvnorm0,gradvnorm1,gradvnormc);
fprintf(universe->ulogfile,"%g %g %g ",ebf,ebr,endpt);
fprintf(universe->ulogfile,"%12.8g %12.8g %12.8g ",ebf,ebr,endpt);
for (int i = 0; i < nreplica; i++)
fprintf(universe->ulogfile,"%g %g ",rdist[i],all[i][0]);
fprintf(universe->ulogfile,"%12.8g %12.8g ",rdist[i],all[i][0]);
fprintf(universe->ulogfile,"\n");
fflush(universe->ulogfile);
}