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Viewing changes to examples/USER/eff/CH4/in.ch4_ionized.dynamics

  • Committer: Package Import Robot
  • Author(s): Anton Gladky
  • Date: 2015-04-29 23:44:49 UTC
  • mfrom: (5.1.3 experimental)
  • Revision ID: package-import@ubuntu.com-20150429234449-mbhy9utku6hp6oq8
Tags: 0~20150313.gitfa668e1-1
Upload into unstable.

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examples/USER/eff/CH4/in.ch4_ionized.dynamics
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pair_style      eff/cut 5000.0 0 0
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pair_coeff      * *
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communicate     single vel yes  
 
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comm_modify     vel yes 
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# minimize
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min_style       cg
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fix             1 all nvt/eff temp 300.0 300.0 0.1
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# the custom dump includes the radii
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dump            1 all custom 100 ${sname}.nvt.lammpstrj id type x y z spin eradius
 
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compute         1 all property/atom spin eradius
 
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dump            1 all custom 100 ${sname}.nvt.lammpstrj id type x y z c_1[1] c_1[2]
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dump            2 all xyz 100 ${sname}.nvt.xyz 
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run             1000000