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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14767 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2016-03-22 00:17:14 +00:00
parent 009f3564e0
commit 86fc7d455c
5 changed files with 17 additions and 12 deletions
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7
src/min.cpp
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@ -274,6 +274,7 @@ void Min::setup()
else force->kspace->compute_dummy(eflag,vflag);
}
modify->pre_reverse(eflag,vflag);
if (force->newton) comm->reverse_comm();
// update per-atom minimization variables stored by pair styles
@ -354,6 +355,7 @@ void Min::setup_minimal(int flag)
else force->kspace->compute_dummy(eflag,vflag);
}
modify->pre_reverse(eflag,vflag);
if (force->newton) comm->reverse_comm();
// update per-atom minimization variables stored by pair styles
@ -513,6 +515,11 @@ double Min::energy_force(int resetflag)
timer->stamp(Timer::KSPACE);
}
if (modify->n_pre_reverse) {
modify->pre_reverse(eflag,vflag);
timer->stamp(Timer::MODIFY);
}
if (force->newton) {
comm->reverse_comm();
timer->stamp(Timer::COMM);