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update spc/e data and reax/c input

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Axel Kohlmeyer
2018-03-21 19:03:02 -04:00
parent 57dbad59c0
commit ad87b632ef
2 changed files with 9030 additions and 1 deletions
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9029
bench/POTENTIALS/data.spce Normal file
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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