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new neigh_modify exclude option, other SNAP changes

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Steve Plimpton
2017-03-07 09:31:12 -07:00
parent 49e83b4348
commit efaa4c6710
32 changed files with 108 additions and 44 deletions
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examples/rigid/in.rigid.tnr
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@ -20,7 +20,7 @@ velocity all create 1.4 109345
group rods type 2
group tethers subtract all rods
neigh_modify exclude molecule rods delay 0 every 1
neigh_modify exclude molecule/intra rods delay 0 every 1
# Specify the pair potentials