/* ---------------------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator http://lammps.sandia.gov, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains certain rights in this software. This software is distributed under the GNU General Public License. See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ #ifdef PAIR_CLASS PairStyle(peri/lps,PairPeriLPS) #else #ifndef LMP_PAIR_PERI_LPS_H #define LMP_PAIR_PERI_LPS_H #include "pair.h" namespace LAMMPS_NS { class PairPeriLPS : public Pair { public: PairPeriLPS(class LAMMPS *); virtual ~PairPeriLPS(); int pack_comm(int, int *, double *, int, int *); void unpack_comm(int, int, double *); virtual void compute(int, int); void settings(int, char **); void coeff(int, char **); double init_one(int, int); void init_style(); void write_restart(FILE *); void read_restart(FILE *); void write_restart_settings(FILE *) {} void read_restart_settings(FILE *) {} double single(int, int, int, int, double, double, double, double &); double memory_usage(); double influence_function(double, double, double); void compute_dilatation(); protected: int ifix_peri; double **bulkmodulus; double **shearmodulus; double **s00, **alpha; double **cut; double *s0_new; double *theta; int nmax; void allocate(); }; } #endif #endif /* ERROR/WARNING messages: E: Illegal ... command Self-explanatory. Check the input script syntax and compare to the documentation for the command. You can use -echo screen as a command-line option when running LAMMPS to see the offending line. E: Incorrect args for pair coefficients Self-explanatory. Check the input script or data file. E: All pair coeffs are not set All pair coefficients must be set in the data file or by the pair_coeff command before running a simulation. E: Pair style peri requires atom style peri Self-explanatory. E: Pair peri requires an atom map, see atom_modify Even for atomic systems, an atom map is required to find Peridynamic bonds. Use the atom_modify command to define one. E: Pair peri requires a lattice be defined Use the lattice command for this purpose. E: Pair peri lattice is not identical in x, y, and z The lattice defined by the lattice command must be cubic. E: Fix peri neigh does not exist Somehow a fix that the pair style defines has been deleted. E: Divide by 0 in influence function of pair peri/lps This should not normally occur. It is likely a problem with your model. */