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(lj/long/coul/long/dielectric,PairLJLongCoulLongDielectric); 17 // clang-format on 18 #else 19 20 #ifndef LMP_PAIR_LJ_LONG_COUL_LONG_DIELECTRIC_H 21 #define LMP_PAIR_LJ_LONG_COUL_LONG_DIELECTRIC_H 22 23 #include "pair_lj_long_coul_long.h" 24 25 namespace LAMMPS_NS { 26 27 class PairLJLongCoulLongDielectric : public PairLJLongCoulLong { 28 public: 29 PairLJLongCoulLongDielectric(class LAMMPS *); 30 virtual ~PairLJLongCoulLongDielectric(); 31 virtual void compute(int, int); 32 void init_style(); 33 double single(int, int, int, int, double, double, double, double &); 34 35 double **efield; 36 double *epot; 37 38 protected: 39 class AtomVecDielectric *avec; 40 int nmax; 41 }; 42 43 } // namespace LAMMPS_NS 44 45 #endif 46 #endif 47 48 /* ERROR/WARNING messages: 49 50 E: Illegal ... command 51 52 Self-explanatory. Check the input script syntax and compare to the 53 documentation for the command. You can use -echo screen as a 54 command-line option when running LAMMPS to see the offending line. 55 56 */ 57