Loading examples/USER/misc/ilp_graphene_hbn/bilayer-graphene/in.bilayer-graphene +2 −3 Original line number Diff line number Diff line Loading @@ -43,9 +43,8 @@ variable Erep equal c_1[2] # repulsive energy # Output thermo 100 thermo_style custom step cpu etotal pe ke v_REBO v_ILP v_Erep v_Evdw temp thermo_modify line one format float %.16f thermo_modify flush yes norm no lost warn thermo_style custom step etotal pe ke v_REBO v_ILP v_Erep v_Evdw temp thermo_modify lost warn ###### Run molecular dynamics ###### fix thermostat all nve Loading Loading
examples/USER/misc/ilp_graphene_hbn/bilayer-graphene/in.bilayer-graphene +2 −3 Original line number Diff line number Diff line Loading @@ -43,9 +43,8 @@ variable Erep equal c_1[2] # repulsive energy # Output thermo 100 thermo_style custom step cpu etotal pe ke v_REBO v_ILP v_Erep v_Evdw temp thermo_modify line one format float %.16f thermo_modify flush yes norm no lost warn thermo_style custom step etotal pe ke v_REBO v_ILP v_Erep v_Evdw temp thermo_modify lost warn ###### Run molecular dynamics ###### fix thermostat all nve Loading
