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Viewing changes to src/compute_vacf.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
Upload into unstable.

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src/compute_vacf.cpp
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  vector_flag = 1;
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  size_vector = 4;
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  extvector = 0;
 
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  create_attribute = 1;
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  // create a new fix STORE style
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  // id = compute-ID + COMPUTE_STORE, fix group = compute group
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    vector[3] /= nvacf;
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  }
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}
 
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/* ----------------------------------------------------------------------
 
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   initialize one atom's storage values, called when atom is created
 
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------------------------------------------------------------------------- */
 
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void ComputeVACF::set_arrays(int i)
 
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{
 
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  double **voriginal = fix->astore;
 
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  double **v = atom->v;
 
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  voriginal[i][0] = v[i][0];
 
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  voriginal[i][1] = v[i][1];
 
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  voriginal[i][2] = v[i][2];
 
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}
 
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