MD-Bench/data/argon_1000/mdbench_params.conf

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 1.8
skin 0.1
reneigh_every 100
nstat 125000
Allow parameter reading from files and update data Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com> 2022-03-05 03:21:52 +01:00			`mass 39.94`
			`sigma 0.0062220`
			`epsilon 0.0000096960`
Update params for argon_1000 test case Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com> 2022-03-07 14:49:38 +01:00			`ntimes 250000`
Allow parameter reading from files and update data Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com> 2022-03-05 03:21:52 +01:00			`dt 0.001`
			`temp 80`
			`x_out_freq 500`
			`v_out_freq 5`
Increase cutoff for Argon case Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com> 2023-04-03 15:06:32 +02:00			`cutforce 1.8`
			`skin 0.1`
Update params for argon_1000 test case Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com> 2022-03-07 14:49:38 +01:00			`reneigh_every 100`
			`nstat 125000`