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Update params for argon_1000 test case

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Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
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Rafael Ravedutti 2022-03-07 14:49:38 +01:00
parent ba6785a865
commit cecb31d6a9
1 changed files with 4 additions and 3 deletions
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data/argon_1000/mdbench_params.conf
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@ -1,10 +1,11 @@
mass 39.94 mass 39.94
sigma 0.0062220 sigma 0.0062220
epsilon 0.0000096960 epsilon 0.0000096960
ntimes 1000 ntimes 250000
dt 0.001 dt 0.001
temp 80 temp 80
x_out_freq 500 x_out_freq 500
v_out_freq 5 v_out_freq 5
cutforce 9.0 cutforce 0.9
reneigh_every 5 reneigh_every 100
nstat 125000