diff --git a/examples/pour/in.pour.2d.molecule b/examples/pour/in.pour.2d.molecule index de09796da1..df44c6a528 100644 --- a/examples/pour/in.pour.2d.molecule +++ b/examples/pour/in.pour.2d.molecule @@ -43,10 +43,12 @@ fix ins all pour 500 0 4767548 vol 0.8 10 & fix 4 all enforce2d compute 1 all erotate/sphere +compute Tsphere all temp/sphere thermo_style custom step atoms ke c_1 vol +thermo_modify lost ignore norm no temp Tsphere +compute_modify Tsphere dynamic yes + thermo 1000 -thermo_modify lost ignore norm no -compute_modify thermo_temp dynamic yes #dump id all atom 100 tmp.dump