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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7546 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2012-01-12 19:03:12 +00:00
parent e4d07ec55c
commit ec06aed001
43 changed files with 251 additions and 82 deletions
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5
examples/tad/in.tad
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@ -81,8 +81,9 @@ velocity all zero linear
# only output atoms near vacancy
compute coord all coord/atom $r
dump events all custom 1 dump.prd id type x y z
dump_modify events thresh c_coord != 4
#dump events all custom 1 dump.prd id type x y z
#dump_modify events thresh c_coord != 4
compute patom all pe/atom
compute pe all reduce sum c_patom