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