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Viewing changes to src/improper.cpp

  • Committer: Package Import Robot
  • Author(s): Anton Gladky
  • Date: 2013-11-20 22:41:36 UTC
  • mfrom: (1.2.2)
  • Revision ID: package-import@ubuntu.com-20131120224136-tzx7leh606fqnckm
Tags: 0~20131119.git7162cf0-1
* [e65b919] Imported Upstream version 0~20131119.git7162cf0
* [f7bddd4] Fix some problems, introduced by upstream recently.
* [3616dfc] Use wrap-and-sort script.
* [7e92030] Ignore quilt dir

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Lines of Context:
src/improper.cpp
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  maxeatom = maxvatom = 0;
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  eatom = NULL;
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  vatom = NULL;
 
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  setflag = NULL;
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  datamask = ALL_MASK;
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  datamask_ext = ALL_MASK;
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void Improper::init()
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{
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  if (!allocated) error->all(FLERR,"Improper coeffs are not set");
 
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  if (!allocated && atom->nimpropertypes) 
 
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    error->all(FLERR,"Improper coeffs are not set");
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  for (int i = 1; i <= atom->nimpropertypes; i++)
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    if (setflag[i] == 0) error->all(FLERR,"All improper coeffs are not set");
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}