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Commit JT 032719 

- commit before wok output
This commit is contained in:
julient31 2019-03-27 14:59:12 -06:00
parent 3cabfd13cd
commit 44fe8330b9
1 changed files with 1 additions and 5 deletions
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6
src/SPIN/fix_neb_spin.cpp
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@ -492,7 +492,7 @@ void FixNEB_spin::min_post_force(int /*vflag*/)
// no Perpendicular nudging force option active yet
if (kspringPerp != 0.0)
error->all(FLERR,"NEB_spin Perpendicular nudging force not yet active");
error->all(FLERR,"NEB_spin Perpendicular spring force not yet active");
}
}
@ -566,10 +566,6 @@ void FixNEB_spin::min_post_force(int /*vflag*/)
if (NEBLongRange)
error->all(FLERR,"NEB_spin long range option not yet active");
// test output length
//printf("testi irep / plen: %d %g \n",ireplica,nlen);
// exit calc. if first or last replica (no gneb force)
if (ireplica == 0 || ireplica == nreplica-1) return ;