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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3128 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2009-08-28 20:28:23 +00:00
parent 877eb8283b
commit 5e18b620f3
10 changed files with 35 additions and 17 deletions
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3
src/min.cpp
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@ -328,7 +328,7 @@ void Min::run(int nsteps)
// account for early exit from iterate loop due to convergence
// set niter/nsteps for Finish stats to print
// set output->next values to this timestep
// call eng_force to insure vflag is set when forces computed
// call engergy_force() to insure vflag is set when forces computed
// output->write does final output for thermo, dump, restart files
// add ntimestep to all computes that store invocation times
// since are hardwireing call to thermo/dumps and computes may not be ready
@ -392,6 +392,7 @@ double Min::energy_force(int resetflag)
comm->communicate();
timer->stamp(TIME_COMM);
} else {
if (modify->n_min_pre_exchange) modify->min_pre_exchange();
if (triclinic) domain->x2lamda(atom->nlocal);
domain->pbc();
if (domain->box_change) {