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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7184 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2011-10-24 20:28:02 +00:00
parent 11806a92a1
commit c6bbdcfbf2
71 changed files with 279 additions and 190 deletions
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11
src/min.cpp
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@ -157,7 +157,8 @@ void Min::init()
if (neigh_every != 1 || neigh_delay != 0 || neigh_dist_check != 1) {
if (comm->me == 0)
error->warning(FLERR,"Resetting reneighboring criteria during minimization");
error->warning(FLERR,
"Resetting reneighboring criteria during minimization");
}
neighbor->every = 1;
@ -227,9 +228,11 @@ void Min::setup()
// remove these restriction eventually
if (nextra_global && searchflag == 0)
error->all(FLERR,"Cannot use a damped dynamics min style with fix box/relax");
error->all(FLERR,
"Cannot use a damped dynamics min style with fix box/relax");
if (nextra_atom && searchflag == 0)
error->all(FLERR,"Cannot use a damped dynamics min style with per-atom DOF");
error->all(FLERR,
"Cannot use a damped dynamics min style with per-atom DOF");
// atoms may have migrated in comm->exchange()
@ -510,6 +513,8 @@ void Min::force_clear()
{
int i;
if (external_force_clear) return;
// clear global force array
// nall includes ghosts only if either newton flag is set