Update params for argon_1000 test case

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