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removed redundant region check, made com/overdamped "yes" or "no" instead of 0/1

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Tom Swinburne
2020-05-01 14:36:06 +02:00
parent bad3becac3
commit 7c620f7514
4 changed files with 7 additions and 21 deletions
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examples/USER/misc/pafi/in.pafi
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@ -26,7 +26,7 @@ compute pa all property/atom d_nx d_ny d_nz d_dnx d_dny d_dnz d_ddnx d_ddny d_dd
run 0
## fix name group-id pafi compute-id temperature tdamp seed overdamped 0/1 com 0/1
fix hp all pafi pa 500.0 0.01 434 overdamped 0 com 1
fix hp all pafi pa 500.0 0.01 434 overdamped no com yes
run 0
minimize 0 0 1000 1000 # best if using NEB path