Commit 290625c0 authored by sjplimp's avatar sjplimp
Browse files 

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@103 f3b2605a-c512-4ea7-a41b-209d697bcdaa
parent ed0d30f8

src/MANYBODY/pair_eam.cpp

+343 −392

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src/MANYBODY/pair_eam_alloy.cpp

+175 −337

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src/MANYBODY/pair_eam_alloy.h

+2 −6
Original line number Diff line number Diff line
@@ -18,15 +18,11 @@ 


class PairEAMAlloy : public PairEAM {

 public:

  PairEAMAlloy();

  void coeff(int, char **);

  double init_one(int, int);

  void init_style();



 private:

  int read_setfl(char *, int, int);

  void store_setfl();

  void interpolate();

  void read_file(char *);

  void file2array();

};



#endif

src/MANYBODY/pair_eam_fs.cpp

+179 −633

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src/MANYBODY/pair_eam_fs.h

+2 −14
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@@ -18,23 +18,11 @@ 


class PairEAMFS : public PairEAM {

 public:

  PairEAMFS();

  ~PairEAMFS();

  void compute(int, int);

  void coeff(int, char **);

  double init_one(int, int);

  void init_style();

  void single(int, int, int, int, double, double, double, int, One &);



 private:

  double ***rhor_fs;

  double ***rhor_fs_0,***rhor_fs_1,***rhor_fs_2,***rhor_fs_3;

  double ***rhor_fs_4,***rhor_fs_5,***rhor_fs_6;



  int read_setfl(char *, int, int);

  void store_setfl();

  void interpolate();

  void interpolate_deallocate();

  void read_file(char *);

  void file2array();

};



#endif

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