MD-Bench/data/argon_1000/mdbench_params.conf
Rafael Ravedutti cecb31d6a9 Update params for argon_1000 test case
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
2022-03-07 14:49:38 +01:00

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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