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/disp/dielectric,PPPMDispDielectric);
17 // clang-format on
18 #else
19 
20 #ifndef LMP_PPPM_DISP_DIELECTRIC_H
21 #define LMP_PPPM_DISP_DIELECTRIC_H
22 
23 #include "pppm_disp.h"
24 
25 namespace LAMMPS_NS {
26 
27 class PPPMDispDielectric : public PPPMDisp {
28  public:
29   PPPMDispDielectric(class LAMMPS *);
30   virtual ~PPPMDispDielectric();
31   virtual double memory_usage();
32   virtual void compute(int, int);
33   void qsum_qsq();
34   void slabcorr(int);
35 
36   double **efield;
37   double *phi;
38   int potflag;    // 1/0 if per-atom electrostatic potential phi is needed
39 
40  protected:
41   virtual void fieldforce_c_ik();
42   virtual void fieldforce_c_ad();
43   virtual void fieldforce_c_peratom();
44 
45   class AtomVecDielectric *avec;
46   int mu_flag;
47 };
48 
49 }    // namespace LAMMPS_NS
50 
51 #endif
52 #endif
53 
54 /* ERROR/WARNING messages:
55 
56 E: Illegal ... command
57 
58 Self-explanatory.  Check the input script syntax and compare to the
59 documentation for the command.  You can use -echo screen as a
60 command-line option when running LAMMPS to see the offending line.
61 
62 */
63