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 PAIR_CLASS
15 // clang-format off
16 PairStyle(coul/cut/dielectric,PairCoulCutDielectric);
17 // clang-format on
18 #else
19 
20 #ifndef LMP_PAIR_COUL_CUT_DIELECTRIC_H
21 #define LMP_PAIR_COUL_CUT_DIELECTRIC_H
22 
23 #include "pair_coul_cut.h"
24 
25 namespace LAMMPS_NS {
26 
27 class PairCoulCutDielectric : public PairCoulCut {
28  public:
29   PairCoulCutDielectric(class LAMMPS *);
30   virtual ~PairCoulCutDielectric();
31   virtual void compute(int, int);
32   virtual double single(int, int, int, int, double, double, double, double &);
33   void init_style();
34 
35   double **efield;
36 
37  protected:
38   class AtomVecDielectric *avec;
39   int nmax;
40 };
41 
42 }    // namespace LAMMPS_NS
43 
44 #endif
45 #endif
46 
47 /* ERROR/WARNING messages:
48 
49 E: Illegal ... command
50 
51 Self-explanatory.  Check the input script syntax and compare to the
52 documentation for the command.  You can use -echo screen as a
53 command-line option when running LAMMPS to see the offending line.
54 
55 E: Incorrect args for pair coefficients
56 
57 Self-explanatory.  Check the input script or data file.
58 
59 E: Pair style coul/cut/dielectric requires atom attribute q
60 
61 The atom style defined does not have these attributes.
62 
63 */
64