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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3114 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2009-08-18 21:52:42 +00:00
parent b16daa15d8
commit f785919592
3 changed files with 15 additions and 10 deletions
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13
src/min.cpp
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@ -301,10 +301,6 @@ void Min::run()
timer->barrier_stop(TIME_LOOP);
// delete fix_minimize at end of run
modify->delete_fix("MINIMIZE");
// reset reneighboring criteria
neighbor->every = neigh_every;
@ -318,6 +314,15 @@ void Min::run()
fnorminf_final = fnorm_inf();
}
/* ----------------------------------------------------------------------
delete fix at end of run, so its atom arrays won't persist
------------------------------------------------------------------------- */
void Min::cleanup()
{
modify->delete_fix("MINIMIZE");
}
/* ----------------------------------------------------------------------
evaluate potential energy and forces
may migrate atoms due to reneighboring