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Viewing changes to src/compute_temp_com.cpp

  • 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
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src/compute_temp_com.cpp
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void ComputeTempCOM::setup()
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{
 
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  dynamic = 0;
 
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  if (dynamic_user || group->dynamic[igroup]) dynamic = 1;
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  fix_dof = -1;
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  dof_compute();
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}
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   remove velocity bias from atom I to leave thermal velocity
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------------------------------------------------------------------------- */
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void ComputeTempCOM::remove_bias(int, double *v)
 
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void ComputeTempCOM::remove_bias(int i, double *v)
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{
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  v[0] -= vbias[0];
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  v[1] -= vbias[1];
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   assume remove_bias() was previously called
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------------------------------------------------------------------------- */
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void ComputeTempCOM::restore_bias(int, double *v)
 
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void ComputeTempCOM::restore_bias(int i, double *v)
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{
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  v[0] += vbias[0];
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  v[1] += vbias[1];