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4498 4500 diff --git a/bench/POTENTIALS/in.reaxc b/bench/POTENTIALS/in.reaxc index fb84bccabee3aea59650b97b661a1577f204238b..8eaa1dda8bd5042a2f603f5eb4eaf4875f4bafe4 100644 --- a/bench/POTENTIALS/in.reaxc +++ b/bench/POTENTIALS/in.reaxc @@ -10,7 +10,7 @@ replicate 7 8 10 velocity all create 300.0 9999 pair_style reax/c NULL -pair_coeff * * ffield.reax 1 2 3 4 +pair_coeff * * ffield.reax C H O N timestep 0.1 fix 1 all nve