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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11406 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2014-01-30 22:05:47 +00:00
parent 80ba6c1f63
commit d4552ec92e
1 changed files with 5 additions and 1 deletions
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6
examples/comb/in.comb.HfO2
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@ -35,7 +35,11 @@ run 5
unfix 1 unfix 1
fix 1 all box/relax aniso 0.0 vmax 0.0002 fix 1 all box/relax aniso 0.0 vmax 0.0002
minimize 1.0e-12 1.0e-18 1000 10000
# should minimize to higher tolerance in practice
#minimize 1.0e-12 1.0e-18 1000 10000
minimize 1.0e-4 1.0e-6 1000 10000
min_modify dmax 0.005 line quadratic min_modify dmax 0.005 line quadratic
#dump 1 all cfg 10 *.cfg id type xs ys zs q vx vy vz fx fy fz #dump 1 all cfg 10 *.cfg id type xs ys zs q vx vy vz fx fy fz