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Viewing changes to src/USER-FEP/fix_adapt_fep.h

  • 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/USER-FEP/fix_adapt_fep.h
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/* ----------------------------------------------------------------------
 
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/* -*- c++ -*- ----------------------------------------------------------
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   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
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   http://lammps.sandia.gov, Sandia National Laboratories
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   Steve Plimpton, sjplimp@sandia.gov
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  FixAdaptFEP(class LAMMPS *, int, char **);
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  ~FixAdaptFEP();
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  int setmask();
 
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  void post_constructor();
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  void init();
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  void setup_pre_force(int);
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  void pre_force(int);
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  void post_run();
 
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  void setup_pre_force_respa(int,int);
 
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  void pre_force_respa(int,int,int);
 
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  void set_arrays(int);
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 private:
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  int nadapt,resetflag,scaleflag,afterflag;
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  int anypair;
 
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  int nlevels_respa;
 
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  char *id_fix_diam,*id_fix_chg;
 
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  class FixStore *fix_diam,*fix_chg;
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  struct Adapt {
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    int which,ivar;