Loading src/fix_deprecated.cpp +10 −0 Original line number Diff line number Diff line Loading @@ -23,6 +23,16 @@ using namespace LAMMPS_NS; FixDeprecated::FixDeprecated(LAMMPS *lmp, int narg, char **arg) : Fix(lmp, narg, arg) { if (strcmp(style,"deprecated") == 0) { const char *message = "\n" "NOTE: The fix style 'deprecated' is a dummy fix style that was added to\n" "LAMMPS in order to print suitable error messages for deleted features.\n\n"; if (comm->me == 0) { if (screen) fputs(message,screen); if (logfile) fputs(message,logfile); } } if (strncmp(style,"ave/spatial",11) == 0) { const char *message = "\n" "NOTE: The fix styles 'ave/spatial' and 'ave/spatial/sphere' have been replaced\n" Loading src/fix_deprecated.h +1 −0 Original line number Diff line number Diff line Loading @@ -15,6 +15,7 @@ // list all deprecated and removed fix styles here FixStyle(deprecated,FixDeprecated) FixStyle(ave/spatial,FixDeprecated) FixStyle(ave/spatial/sphere,FixDeprecated) Loading src/modify.cpp +6 −5 Original line number Diff line number Diff line Loading @@ -785,16 +785,17 @@ void Modify::add_fix(int narg, char **arg, int trysuffix) // but can't think of better way // too late if instantiate fix, then check flag set in fix constructor, // since some fixes access domain settings in their constructor // MUST change NEXCEPT above when add new fix to this list // NULL must be last entry in this list const char *exceptions[NEXCEPT] = {"GPU","OMP","INTEL","property/atom","cmap","cmap3","rx"}; const char *exceptions[] = {"GPU", "OMP", "INTEL", "property/atom", "cmap", "cmap3", "rx", "deprecated", NULL}; if (domain->box_exist == 0) { int m; for (m = 0; m < NEXCEPT; m++) for (m = 0; exceptions[m] != NULL; m++) if (strcmp(arg[2],exceptions[m]) == 0) break; if (m == NEXCEPT) if (exceptions[m] == NULL) error->all(FLERR,"Fix command before simulation box is defined"); } Loading src/pair_deprecated.cpp 0 → 100644 +53 −0 Original line number Diff line number Diff line /* ---------------------------------------------------------------------- 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. ------------------------------------------------------------------------- */ /* ---------------------------------------------------------------------- Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ #include "pair_deprecated.h" #include "pair_hybrid.h" #include "comm.h" #include "force.h" #include "error.h" using namespace LAMMPS_NS; /* ---------------------------------------------------------------------- */ PairDeprecated::PairDeprecated(LAMMPS *lmp) : Pair(lmp) { if (strcmp(force->pair_style,"deprecated") == 0) { const char *message = "\n" "NOTE: The pair style 'deprecated' is a dummy fix style that was added to\n" "LAMMPS in order to print suitable error messages for deleted features.\n\n"; if (comm->me == 0) { if (screen) fputs(message,screen); if (logfile) fputs(message,logfile); } } if (strncmp(force->pair_style,"reax",11) == 0) { const char *message = "\n" "NOTE: The pair style 'reax' has been removed from LAMMPS after the\n" "## November 2018 stable release. Its functionality has long before\n" "been superseded by pair styles 'reax/c' and 'reax/c/kk'\n\n"; if (comm->me == 0) { if (screen) fputs(message,screen); if (logfile) fputs(message,logfile); } } error->all(FLERR,"This pair_style command has been removed from LAMMPS"); } src/pair_deprecated.h 0 → 100644 +84 −0 Original line number Diff line number Diff line /* -*- c++ -*- ---------------------------------------------------------- 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(deprecated,PairDeprecated) #else #ifndef LMP_PAIR_DEPRECATED_H #define LMP_PAIR_DEPRECATED_H #include "pair.h" namespace LAMMPS_NS { class PairDeprecated : public Pair { public: PairDeprecated(class LAMMPS *); virtual ~PairDeprecated() {}; virtual void compute(int, int) {}; virtual void settings(int, char **) {}; virtual void coeff(int, char **) {}; }; } #endif #endif /* ERROR/WARNING messages: E: Not all pairs processed in pair_style list Not all interacting pairs for which coefficients were found. This can be intentional and then you need to set the 'nocheck' option. If not, it usually means that the communication cutoff is too small. This can be ameliorated by either increasing the cutoff in the pair_style command or the communication cutoff. 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: Cannot open pair list file Self-explanatory. The file with the list of pairs cannot be open for reading. Check the path and permissions. E: Incorrectly formatted ... Self-explanatory. The content of the pair list file does not match the documented format. Please re-read the documentation and carefully compare it to your file. E: Unknown pair list potential style Self-explanatory. You requested a potential type that is not yet implemented or have a typo. E: Incorrect args for pair coefficients Self-explanatory. Check the input script or data file. E: Pair style list requires atom IDs Self-explanatory. The pairs in the list are identified via atom IDs, so they need to be present. E: Pair style list requires an atom map Self-explanatory. Atoms are looked up via an atom map. Create one using the atom_style map command. */ Loading
src/fix_deprecated.cpp +10 −0 Original line number Diff line number Diff line Loading @@ -23,6 +23,16 @@ using namespace LAMMPS_NS; FixDeprecated::FixDeprecated(LAMMPS *lmp, int narg, char **arg) : Fix(lmp, narg, arg) { if (strcmp(style,"deprecated") == 0) { const char *message = "\n" "NOTE: The fix style 'deprecated' is a dummy fix style that was added to\n" "LAMMPS in order to print suitable error messages for deleted features.\n\n"; if (comm->me == 0) { if (screen) fputs(message,screen); if (logfile) fputs(message,logfile); } } if (strncmp(style,"ave/spatial",11) == 0) { const char *message = "\n" "NOTE: The fix styles 'ave/spatial' and 'ave/spatial/sphere' have been replaced\n" Loading
src/fix_deprecated.h +1 −0 Original line number Diff line number Diff line Loading @@ -15,6 +15,7 @@ // list all deprecated and removed fix styles here FixStyle(deprecated,FixDeprecated) FixStyle(ave/spatial,FixDeprecated) FixStyle(ave/spatial/sphere,FixDeprecated) Loading
src/modify.cpp +6 −5 Original line number Diff line number Diff line Loading @@ -785,16 +785,17 @@ void Modify::add_fix(int narg, char **arg, int trysuffix) // but can't think of better way // too late if instantiate fix, then check flag set in fix constructor, // since some fixes access domain settings in their constructor // MUST change NEXCEPT above when add new fix to this list // NULL must be last entry in this list const char *exceptions[NEXCEPT] = {"GPU","OMP","INTEL","property/atom","cmap","cmap3","rx"}; const char *exceptions[] = {"GPU", "OMP", "INTEL", "property/atom", "cmap", "cmap3", "rx", "deprecated", NULL}; if (domain->box_exist == 0) { int m; for (m = 0; m < NEXCEPT; m++) for (m = 0; exceptions[m] != NULL; m++) if (strcmp(arg[2],exceptions[m]) == 0) break; if (m == NEXCEPT) if (exceptions[m] == NULL) error->all(FLERR,"Fix command before simulation box is defined"); } Loading
src/pair_deprecated.cpp 0 → 100644 +53 −0 Original line number Diff line number Diff line /* ---------------------------------------------------------------------- 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. ------------------------------------------------------------------------- */ /* ---------------------------------------------------------------------- Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ #include "pair_deprecated.h" #include "pair_hybrid.h" #include "comm.h" #include "force.h" #include "error.h" using namespace LAMMPS_NS; /* ---------------------------------------------------------------------- */ PairDeprecated::PairDeprecated(LAMMPS *lmp) : Pair(lmp) { if (strcmp(force->pair_style,"deprecated") == 0) { const char *message = "\n" "NOTE: The pair style 'deprecated' is a dummy fix style that was added to\n" "LAMMPS in order to print suitable error messages for deleted features.\n\n"; if (comm->me == 0) { if (screen) fputs(message,screen); if (logfile) fputs(message,logfile); } } if (strncmp(force->pair_style,"reax",11) == 0) { const char *message = "\n" "NOTE: The pair style 'reax' has been removed from LAMMPS after the\n" "## November 2018 stable release. Its functionality has long before\n" "been superseded by pair styles 'reax/c' and 'reax/c/kk'\n\n"; if (comm->me == 0) { if (screen) fputs(message,screen); if (logfile) fputs(message,logfile); } } error->all(FLERR,"This pair_style command has been removed from LAMMPS"); }
src/pair_deprecated.h 0 → 100644 +84 −0 Original line number Diff line number Diff line /* -*- c++ -*- ---------------------------------------------------------- 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(deprecated,PairDeprecated) #else #ifndef LMP_PAIR_DEPRECATED_H #define LMP_PAIR_DEPRECATED_H #include "pair.h" namespace LAMMPS_NS { class PairDeprecated : public Pair { public: PairDeprecated(class LAMMPS *); virtual ~PairDeprecated() {}; virtual void compute(int, int) {}; virtual void settings(int, char **) {}; virtual void coeff(int, char **) {}; }; } #endif #endif /* ERROR/WARNING messages: E: Not all pairs processed in pair_style list Not all interacting pairs for which coefficients were found. This can be intentional and then you need to set the 'nocheck' option. If not, it usually means that the communication cutoff is too small. This can be ameliorated by either increasing the cutoff in the pair_style command or the communication cutoff. 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: Cannot open pair list file Self-explanatory. The file with the list of pairs cannot be open for reading. Check the path and permissions. E: Incorrectly formatted ... Self-explanatory. The content of the pair list file does not match the documented format. Please re-read the documentation and carefully compare it to your file. E: Unknown pair list potential style Self-explanatory. You requested a potential type that is not yet implemented or have a typo. E: Incorrect args for pair coefficients Self-explanatory. Check the input script or data file. E: Pair style list requires atom IDs Self-explanatory. The pairs in the list are identified via atom IDs, so they need to be present. E: Pair style list requires an atom map Self-explanatory. Atoms are looked up via an atom map. Create one using the atom_style map command. */
