Commit ad87b632 authored by Axel Kohlmeyer's avatar Axel Kohlmeyer
Browse files

update spc/e data and reax/c input

parent 57dbad59

bench/POTENTIALS/data.spce

0 → 100644
+9029 −0

File added.

Preview size limit exceeded, changes collapsed.

bench/POTENTIALS/in.reaxc

+1 −1
Original line number Diff line number Diff line
@@ -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

CRA Git | Maintained and supported by SUSTech CRA and CCSE