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Commit ad87b632 authored by Axel Kohlmeyer's avatar Axel Kohlmeyer
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update spc/e data and reax/c input

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bench/POTENTIALS/data.spce 0 → 100644
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bench/POTENTIALS/in.reaxc
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......@@ -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
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