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 KSPACE_CLASS
15 // clang-format off
16 KSpaceStyle(pppm/dielectric,PPPMDielectric);
17 // clang-format on
18 #else
19 
20 #ifndef LMP_PPPM_DIELECTRIC_H
21 #define LMP_PPPM_DIELECTRIC_H
22 
23 #include "pppm.h"
24 
25 namespace LAMMPS_NS {
26 
27 class PPPMDielectric : public PPPM {
28  public:
29   PPPMDielectric(class LAMMPS *);
30   virtual ~PPPMDielectric();
31   virtual void compute(int, int);
32 
33   double **efield;
34   double *phi;
35   int potflag;    // 1/0 if per-atom electrostatic potential phi is needed
36 
37   void qsum_qsq();
38 
39  protected:
40   void slabcorr();
41 
42   void fieldforce_ik();
43   void fieldforce_ad();
44 
45   class AtomVecDielectric *avec;
46 };
47 
48 }    // namespace LAMMPS_NS
49 
50 #endif
51 #endif
52 
53 /* ERROR/WARNING messages:
54 
55 E: Illegal ... command
56 
57 Self-explanatory.  Check the input script syntax and compare to the
58 documentation for the command.  You can use -echo screen as a
59 command-line option when running LAMMPS to see the offending line.
60 
61 */
62