Loading src/CLASS2/pair_lj_class2_coul_long.h +14 −1 Original line number Original line Diff line number Diff line Loading @@ -2,10 +2,12 @@ LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator http://lammps.sandia.gov, Sandia National Laboratories http://lammps.sandia.gov, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract Copyright (2003) Sandia Corporation. Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains certain rights in this software. This software is distributed under certain rights in this software. This software is distributed under the GNU General Public License. the GNU General Public License. See the README file in the top-level LAMMPS directory. See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ ------------------------------------------------------------------------- */ Loading @@ -29,7 +31,7 @@ class PairLJClass2CoulLong : public Pair { virtual void compute(int, int); virtual void compute(int, int); virtual void settings(int, char **); virtual void settings(int, char **); void coeff(int, char **); void coeff(int, char **); void init_style(); virtual void init_style(); virtual double init_one(int, int); virtual double init_one(int, int); void write_restart(FILE *); void write_restart(FILE *); void read_restart(FILE *); void read_restart(FILE *); Loading Loading @@ -62,17 +64,28 @@ class PairLJClass2CoulLong : public Pair { #endif #endif /* ERROR/WARNING messages: /* ERROR/WARNING messages: E: Illegal ... command E: Illegal ... command Self-explanatory. Check the input script syntax and compare to the Self-explanatory. Check the input script syntax and compare to the documentation for the command. You can use -echo screen as a documentation for the command. You can use -echo screen as a command-line option when running LAMMPS to see the offending line. command-line option when running LAMMPS to see the offending line. E: Incorrect args for pair coefficients E: Incorrect args for pair coefficients Self-explanatory. Check the input script or data file. Self-explanatory. Check the input script or data file. E: Pair style lj/class2/coul/long requires atom attribute q E: Pair style lj/class2/coul/long requires atom attribute q The atom style defined does not have this attribute. The atom style defined does not have this attribute. E: Pair style requires a KSpace style E: Pair style requires a KSpace style No kspace style is defined. No kspace style is defined. E: Pair cutoff < Respa interior cutoff E: Pair cutoff < Respa interior cutoff One or more pairwise cutoffs are too short to use with the specified One or more pairwise cutoffs are too short to use with the specified rRESPA cutoffs. rRESPA cutoffs. */ */ Loading
src/CLASS2/pair_lj_class2_coul_long.h +14 −1 Original line number Original line Diff line number Diff line Loading @@ -2,10 +2,12 @@ LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator http://lammps.sandia.gov, Sandia National Laboratories http://lammps.sandia.gov, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract Copyright (2003) Sandia Corporation. Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains certain rights in this software. This software is distributed under certain rights in this software. This software is distributed under the GNU General Public License. the GNU General Public License. See the README file in the top-level LAMMPS directory. See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ ------------------------------------------------------------------------- */ Loading @@ -29,7 +31,7 @@ class PairLJClass2CoulLong : public Pair { virtual void compute(int, int); virtual void compute(int, int); virtual void settings(int, char **); virtual void settings(int, char **); void coeff(int, char **); void coeff(int, char **); void init_style(); virtual void init_style(); virtual double init_one(int, int); virtual double init_one(int, int); void write_restart(FILE *); void write_restart(FILE *); void read_restart(FILE *); void read_restart(FILE *); Loading Loading @@ -62,17 +64,28 @@ class PairLJClass2CoulLong : public Pair { #endif #endif /* ERROR/WARNING messages: /* ERROR/WARNING messages: E: Illegal ... command E: Illegal ... command Self-explanatory. Check the input script syntax and compare to the Self-explanatory. Check the input script syntax and compare to the documentation for the command. You can use -echo screen as a documentation for the command. You can use -echo screen as a command-line option when running LAMMPS to see the offending line. command-line option when running LAMMPS to see the offending line. E: Incorrect args for pair coefficients E: Incorrect args for pair coefficients Self-explanatory. Check the input script or data file. Self-explanatory. Check the input script or data file. E: Pair style lj/class2/coul/long requires atom attribute q E: Pair style lj/class2/coul/long requires atom attribute q The atom style defined does not have this attribute. The atom style defined does not have this attribute. E: Pair style requires a KSpace style E: Pair style requires a KSpace style No kspace style is defined. No kspace style is defined. E: Pair cutoff < Respa interior cutoff E: Pair cutoff < Respa interior cutoff One or more pairwise cutoffs are too short to use with the specified One or more pairwise cutoffs are too short to use with the specified rRESPA cutoffs. rRESPA cutoffs. */ */
