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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8242 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2012-06-08 16:00:32 +00:00
parent f84a324b48
commit 7a2e00bbf1
10 changed files with 117 additions and 81 deletions
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10
src/rerun.cpp
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@ -123,7 +123,6 @@ void Rerun::command(int narg, char **arg)
// read all relevant snapshots
// uset setup_minimal() since atoms are already owned by correct procs
// addstep_compute_all() insures energy/virial computed on every snapshot
// set update->nsteps to ndump for Finish stats to print
update->whichflag = 1;
@ -153,7 +152,7 @@ void Rerun::command(int narg, char **arg)
modify->addstep_compute_all(ntimestep);
update->integrate->setup_minimal(1);
modify->end_of_step();
if (firstflag) output->setup(firstflag,firstflag);
if (firstflag) output->setup();
else if (output->next) output->write(ntimestep);
firstflag = 0;
@ -161,10 +160,17 @@ void Rerun::command(int narg, char **arg)
if (ntimestep < 0) break;
}
// insure thermo output on last dump timestep
output->next_thermo = ntimestep;
output->write(ntimestep);
timer->barrier_stop(TIME_LOOP);
update->integrate->cleanup();
// set update->nsteps to ndump for Finish stats to print
update->nsteps = ndump;
Finish finish(lmp);