Remove optional toggle from pair style commands

This commit is contained in:
Steven Ray Anaya
2022-09-16 14:10:58 -06:00
parent 1655aba5f3
commit 43998570d1
3 changed files with 11 additions and 7 deletions

View File

@ -26,7 +26,7 @@ mass 2 30.98
# choose potential
# Specify MLIAP Unified pair style
pair_style mliap unified mliap_unified_hippynn_InP.pt 0
pair_style mliap unified mliap_unified_hippynn_InP.pt
pair_coeff * * In P
#dump 4 all custom 1 forces.xyz fx fy fz

View File

@ -11,7 +11,7 @@ mass 1 1.0
velocity all create 3.0 87287 loop geom
pair_style mliap unified mliap_unified_lj_Ar.pkl 0
pair_style mliap unified mliap_unified_lj_Ar.pkl
pair_coeff * * Ar
neighbor 0.3 bin