MD-Bench/data/argon_1000/mdbench_params.conf
Rafael Ravedutti 5df544637f Fix force calculation time in LAMMPS variant
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
2022-03-17 02:53:58 +01:00

13 lines
164 B
Plaintext

mass 39.94
sigma 0.0062220
epsilon 0.0000096960
ntimes 250000
dt 0.001
temp 80
x_out_freq 500
v_out_freq 5
cutforce 0.9
reneigh_every 100
nstat 125000
half_neigh 0