reduce output precision to default and don't output per-step cpu time

This commit is contained in:
Axel Kohlmeyer
2019-08-01 13:31:52 -04:00
parent 73d2b824bd
commit fa6a990536

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@ -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