Minor tweak

2021-12-23 17:40:59 -07:00
parent 57aedc500e
commit 4a7f726395
1 changed files with 1 additions and 2 deletions
--- a/examples/snap/in.grid.pair
+++ b/examples/snap/in.grid.pair
@ -70,7 +70,6 @@ thermo ${nthermo}
 thermo_modify norm yes

 run 0
-
 variable etot0 equal etotal
 variable etotdelta equal abs(etotal-${etot0})/atoms
 fix avede all ave/time 1 ${nthermo} ${nthermo} v_etotdelta
@ -87,5 +86,5 @@ neigh_modify once no every 1 delay 0 check yes

 # Run MD

-fix 1 all nve
+fix mynve all nve
 run ${nsteps}