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  • 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.min
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pair_style      eff/cut 100.0
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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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compute         effTemp all temp/eff
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thermo_style    custom step etotal pe ke v_eke v_epauli v_ecoul v_erres
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min_style       cg
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dump            2 all custom 10 ${sname}.min.lammpstrj id type q spin eradius x y z fx fy fz erforce
 
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compute         1 all property/atom spin eradius erforce
 
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dump            2 all custom 10 ${sname}.min.lammpstrj id type q c_1[1] c_1[2] x y z fx fy fz c_1[3]
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minimize        0 1e-6 2000 4000
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