1 /* -*- c++ -*- ----------------------------------------------------------
2    LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
3    https://www.lammps.org/, Sandia National Laboratories
4    Steve Plimpton, sjplimp@sandia.gov
5 
6    Copyright (2003) Sandia Corporation.  Under the terms of Contract
7    DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
8    certain rights in this software.  This software is distributed under
9    the GNU General Public License.
10 
11    See the README file in the top-level LAMMPS directory.
12 ------------------------------------------------------------------------- */
13 
14 #ifdef BOND_CLASS
15 // clang-format off
16 BondStyle(class2,BondClass2);
17 // clang-format on
18 #else
19 
20 #ifndef LMP_BOND_CLASS2_H
21 #define LMP_BOND_CLASS2_H
22 
23 #include "bond.h"
24 
25 namespace LAMMPS_NS {
26 
27 class BondClass2 : public Bond {
28  public:
29   BondClass2(class LAMMPS *);
30   virtual ~BondClass2();
31   virtual void compute(int, int);
32   virtual void coeff(int, char **);
33   double equilibrium_distance(int);
34   void write_restart(FILE *);
35   virtual void read_restart(FILE *);
36   void write_data(FILE *);
37   double single(int, double, int, int, double &);
38   virtual void *extract(const char *, int &);
39 
40  protected:
41   double *r0, *k2, *k3, *k4;
42 
43   void allocate();
44 };
45 
46 }    // namespace LAMMPS_NS
47 
48 #endif
49 #endif
50 
51 /* ERROR/WARNING messages:
52 
53 E: Incorrect args for bond coefficients
54 
55 Self-explanatory.  Check the input script or data file.
56 
57 */
58