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added molecule option to compute group/group command

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Steve Plimpton
2017-02-10 09:25:32 -07:00
parent 02b0e6cc55
commit 0068ef5616
16 changed files with 295 additions and 15 deletions
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3
examples/VISCOSITY/in.einstein.2d
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@ -54,7 +54,8 @@ reset_timestep 0
variable pxy equal pxy
variable pxx equal pxx-press
fix avstress all ave/time $s $p $d v_pxy v_pxx ave one file einstein.dat
fix avstress all ave/time $s $p $d v_pxy v_pxx ave one &
file profile.einstein.2d
# Diagonal components of SS are larger by factor 2-2/d,
# which is 4/3 for d=3, but 1 for d=2.