Merge pull request #1148 from akohlmey/deprecated-styles

Implement dummy classes for deprecated and removed styles

src/angle_deprecated.cpp

@@ -0,0 +1,57 @@
+/* ----------------------------------------------------------------------
+   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 <cstring>
+#include "angle_deprecated.h"
+#include "angle_hybrid.h"
+#include "comm.h"
+#include "force.h"
+#include "error.h"
+
+using namespace LAMMPS_NS;
+
+static void writemsg(LAMMPS *lmp, const char *msg, int abend=1)
+{
+  if (lmp->comm->me == 0) {
+    if (lmp->screen) fputs(msg,lmp->screen);
+    if (lmp->logfile) fputs(msg,lmp->logfile);
+  }
+  if (abend)
+    lmp->error->all(FLERR,"This angle style is no longer available");
+}
+
+/* ---------------------------------------------------------------------- */
+
+void AngleDeprecated::settings(int, char **)
+{
+  const char *my_style = force->angle_style;
+
+  // hybrid substyles are created in AngleHybrid::settings(), so when this is
+  // called, our style was just added at the end of the list of substyles
+
+  if (strncmp(my_style,"hybrid",6) == 0) {
+    AngleHybrid *hybrid = (AngleHybrid *)force->angle;
+    my_style = hybrid->keywords[hybrid->nstyles];
+  }
+
+  if (strcmp(my_style,"DEPRECATED") == 0) {
+    writemsg(lmp,"\nAngle style 'DEPRECATED' is a dummy style\n\n",0);
+
+  }
+}  
+
+

src/angle_deprecated.h

@@ -0,0 +1,48 @@
+/* -*- 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 ANGLE_CLASS
+
+AngleStyle(DEPRECATED,AngleDeprecated)
+
+#else
+
+#ifndef LMP_ANGLE_DEPRECATED_H
+#define LMP_ANGLE_DEPRECATED_H
+
+#include "angle.h"
+
+namespace LAMMPS_NS {
+
+class AngleDeprecated : public Angle {
+ public:
+  AngleDeprecated(class LAMMPS *lmp) : Angle(lmp) {}
+  virtual ~AngleDeprecated() {}
+
+  virtual void compute(int, int) {}
+  virtual void settings(int, char **);
+  virtual void coeff(int, char **) {}
+  virtual double equilibrium_angle(int) { return 0.0; }
+  virtual void write_restart(FILE *) {}
+  virtual void read_restart(FILE *) {}
+  virtual double single(int, int, int, int) { return 0.0; }
+};
+
+}
+
+#endif
+#endif
+
+/* ERROR/WARNING messages:
+
+*/

src/bond_deprecated.cpp

@@ -0,0 +1,57 @@
+/* ----------------------------------------------------------------------
+   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 <cstring>
+#include "bond_deprecated.h"
+#include "bond_hybrid.h"
+#include "comm.h"
+#include "force.h"
+#include "error.h"
+
+using namespace LAMMPS_NS;
+
+static void writemsg(LAMMPS *lmp, const char *msg, int abend=1)
+{
+  if (lmp->comm->me == 0) {
+    if (lmp->screen) fputs(msg,lmp->screen);
+    if (lmp->logfile) fputs(msg,lmp->logfile);
+  }
+  if (abend)
+    lmp->error->all(FLERR,"This bond style is no longer available");
+}
+
+/* ---------------------------------------------------------------------- */
+
+void BondDeprecated::settings(int, char **)
+{
+  const char *my_style = force->bond_style;
+
+  // hybrid substyles are created in BondHybrid::settings(), so when this is
+  // called, our style was just added at the end of the list of substyles
+
+  if (strncmp(my_style,"hybrid",6) == 0) {
+    BondHybrid *hybrid = (BondHybrid *)force->bond;
+    my_style = hybrid->keywords[hybrid->nstyles];
+  }
+
+  if (strcmp(my_style,"DEPRECATED") == 0) {
+    writemsg(lmp,"\nBond style 'DEPRECATED' is a dummy style\n\n",0);
+
+  }
+}  
+
+

src/bond_deprecated.h

@@ -0,0 +1,48 @@
+/* -*- 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 BOND_CLASS
+
+BondStyle(DEPRECATED,BondDeprecated)
+
+#else
+
+#ifndef LMP_BOND_DEPRECATED_H
+#define LMP_BOND_DEPRECATED_H
+
+#include "bond.h"
+
+namespace LAMMPS_NS {
+
+class BondDeprecated : public Bond {
+ public:
+  BondDeprecated(class LAMMPS *lmp) : Bond(lmp) {}
+  virtual ~BondDeprecated() {}
+
+  virtual void compute(int, int) {}
+  virtual void settings(int, char **);
+  virtual void coeff(int, char **) {}
+  virtual double equilibrium_distance(int) { return 0.0; }
+  virtual void write_restart(FILE *) {}
+  virtual void read_restart(FILE *) {}
+  virtual double single(int, double, int, int, double &) { return 0.0; }
+};
+
+}
+
+#endif
+#endif
+
+/* ERROR/WARNING messages:
+
+*/

src/compute_deprecated.cpp

@@ -0,0 +1,39 @@
+/* ----------------------------------------------------------------------
+   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.
+------------------------------------------------------------------------- */
+
+#include <cstring>
+#include "compute_deprecated.h"
+#include "comm.h"
+#include "error.h"
+
+using namespace LAMMPS_NS;
+
+static void writemsg(LAMMPS *lmp, const char *msg, int abend=1)
+{
+  if (lmp->comm->me == 0) {
+    if (lmp->screen) fputs(msg,lmp->screen);
+    if (lmp->logfile) fputs(msg,lmp->logfile);
+  }
+  if (abend)
+    lmp->error->all(FLERR,"This compute style is no longer available");
+}
+
+/* ---------------------------------------------------------------------- */
+
+ComputeDeprecated::ComputeDeprecated(LAMMPS *lmp, int narg, char **arg) :
+  Compute(lmp, narg, arg)
+{
+  if (strcmp(style,"DEPRECATED") == 0) {
+    writemsg(lmp,"\nCompute style 'DEPRECATED' is a dummy style\n\n",0);
+  }
+}

src/compute_deprecated.h

@@ -0,0 +1,47 @@
+/* -*- 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 COMPUTE_CLASS
+
+// list all deprecated and removed compute styles here
+
+ComputeStyle(DEPRECATED,ComputeDeprecated)
+
+#else
+
+#ifndef LMP_COMPUTE_DEPRECATED_H
+#define LMP_COMPUTE_DEPRECATED_H
+
+#include "compute.h"
+
+namespace LAMMPS_NS {
+
+class ComputeDeprecated : public Compute {
+ public:
+  ComputeDeprecated(class LAMMPS *, int, char **);
+  ~ComputeDeprecated() {}
+  void init() {}
+};
+
+}
+
+#endif
+#endif
+
+/* ERROR/WARNING messages:
+
+E: This compute command has been removed from LAMMPS
+
+UNDOCUMENTED
+
+*/

src/deprecated.cpp

@@ -0,0 +1,45 @@
+/* ----------------------------------------------------------------------
+   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 authors:  Axel Kohlmeyer (Temple U),
+------------------------------------------------------------------------- */
+
+#include <cstring>
+#include "deprecated.h"
+#include "comm.h"
+#include "force.h"
+#include "error.h"
+#include "input.h"
+
+using namespace LAMMPS_NS;
+
+static void writemsg(LAMMPS *lmp, const char *msg, int abend=1)
+{
+  if (lmp->comm->me == 0) {
+    if (lmp->screen) fputs(msg,lmp->screen);
+    if (lmp->logfile) fputs(msg,lmp->logfile);
+  }
+  if (abend)
+    lmp->error->all(FLERR,"This command is no longer available");
+}
+
+/* ---------------------------------------------------------------------- */
+
+void Deprecated::command(int narg, char **arg)
+{
+  if (strcmp(input->command,"DEPRECATED") == 0) {
+    writemsg(lmp,"\nCommand 'DEPRECATED' is a dummy command\n\n",0);
+
+  }
+}

src/deprecated.h

@@ -0,0 +1,69 @@
+/* -*- 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 COMMAND_CLASS
+
+CommandStyle(DEPRECATED,Deprecated)
+
+#else
+
+#ifndef LMP_DEPRECATED_H
+#define LMP_DEPRECATED_H
+
+#include "pointers.h"
+
+namespace LAMMPS_NS {
+
+class Deprecated : protected Pointers {
+ public:
+  Deprecated(class LAMMPS *lmp) : Pointers(lmp) {};
+  void command(int, char **);
+};
+
+}
+
+#endif
+#endif
+
+/* ERROR/WARNING messages:
+
+W: Ignoring unknown or incorrect info command flag
+
+Self-explanatory.  An unknown argument was given to the info command.
+Compare your input with the documentation.
+
+E: Unknown name for info package category
+
+Self-explanatory.
+
+E: Unknown name for info newton category
+
+Self-explanatory.
+
+E: Unknown name for info pair category
+
+Self-explanatory.
+
+E: Unknown category for info is_active()
+
+Self-explanatory.
+
+E: Unknown category for info is_available()
+
+Self-explanatory.
+
+E: Unknown category for info is_defined()
+
+Self-explanatory.
+
+*/

src/dihedral_deprecated.cpp

@@ -0,0 +1,57 @@
+/* ----------------------------------------------------------------------
+   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 <cstring>
+#include "dihedral_deprecated.h"
+#include "dihedral_hybrid.h"
+#include "comm.h"
+#include "force.h"
+#include "error.h"
+
+using namespace LAMMPS_NS;
+
+static void writemsg(LAMMPS *lmp, const char *msg, int abend=1)
+{
+  if (lmp->comm->me == 0) {
+    if (lmp->screen) fputs(msg,lmp->screen);
+    if (lmp->logfile) fputs(msg,lmp->logfile);
+  }
+  if (abend)
+    lmp->error->all(FLERR,"This dihedral style is no longer available");
+}
+
+/* ---------------------------------------------------------------------- */
+
+void DihedralDeprecated::settings(int, char **)
+{
+  const char *my_style = force->dihedral_style;
+
+  // hybrid substyles are created in DihedralHybrid::settings(), so when this is
+  // called, our style was just added at the end of the list of substyles
+
+  if (strncmp(my_style,"hybrid",6) == 0) {
+    DihedralHybrid *hybrid = (DihedralHybrid *)force->dihedral;
+    my_style = hybrid->keywords[hybrid->nstyles];
+  }
+
+  if (strcmp(my_style,"DEPRECATED") == 0) {
+    writemsg(lmp,"\nDihedral style 'DEPRECATED' is a dummy style\n\n",0);
+
+  }
+}  
+
+

src/dihedral_deprecated.h

@@ -0,0 +1,46 @@
+/* -*- 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 DIHEDRAL_CLASS
+
+DihedralStyle(DEPRECATED,DihedralDeprecated)
+
+#else
+
+#ifndef LMP_DIHEDRAL_DEPRECATED_H
+#define LMP_DIHEDRAL_DEPRECATED_H
+
+#include "dihedral.h"
+
+namespace LAMMPS_NS {
+
+class DihedralDeprecated : public Dihedral {
+ public:
+  DihedralDeprecated(class LAMMPS *lmp) : Dihedral(lmp) {}
+  virtual ~DihedralDeprecated() {}
+
+  virtual void compute(int, int) {}
+  virtual void settings(int, char **);
+  virtual void coeff(int, char **) {}
+  virtual void write_restart(FILE *) {}
+  virtual void read_restart(FILE *) {}
+};
+
+}
+
+#endif
+#endif
+
+/* ERROR/WARNING messages:
+
+*/

src/dump_deprecated.cpp

@@ -0,0 +1,40 @@
+/* ----------------------------------------------------------------------
+   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.
+------------------------------------------------------------------------- */
+
+#include <cstring>
+#include "dump_deprecated.h"
+#include "comm.h"
+#include "error.h"
+
+using namespace LAMMPS_NS;
+
+static void writemsg(LAMMPS *lmp, const char *msg, int abend=1)
+{
+  if (lmp->comm->me == 0) {
+    if (lmp->screen) fputs(msg,lmp->screen);
+    if (lmp->logfile) fputs(msg,lmp->logfile);
+  }
+  if (abend)
+    lmp->error->all(FLERR,"This dump style is no longer available");
+}
+
+/* ---------------------------------------------------------------------- */
+
+DumpDeprecated::DumpDeprecated(LAMMPS *lmp, int narg, char **arg) :
+  Dump(lmp, narg, arg)
+{
+  if (strcmp(style,"DEPRECATED") == 0) {
+    writemsg(lmp,"\nDump style 'DEPRECATED' is a dummy style\n\n",0);
+
+  }
+}

src/dump_deprecated.h

@@ -0,0 +1,50 @@
+/* -*- 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 DUMP_CLASS
+
+// list all deprecated and removed dump styles here
+
+DumpStyle(DEPRECATED,DumpDeprecated)
+
+#else
+
+#ifndef LMP_DUMP_DEPRECATED_H
+#define LMP_DUMP_DEPRECATED_H
+
+#include "dump.h"
+
+namespace LAMMPS_NS {
+
+class DumpDeprecated : public Dump {
+ public:
+  DumpDeprecated(class LAMMPS *, int, char **);
+  ~DumpDeprecated() {}
+  virtual void init_style() {}
+  virtual void write_header(bigint) {}
+  virtual void pack(tagint *) {}
+  virtual void write_data(int, double *) {}
+ };
+
+}
+
+#endif
+#endif
+
+/* ERROR/WARNING messages:
+
+E: This dump style has been removed from LAMMPS
+
+UNDOCUMENTED
+
+*/

src/fix_deprecated.cpp

@@ -18,25 +18,33 @@
 
 using namespace LAMMPS_NS;
 
+static void writemsg(LAMMPS *lmp, const char *msg, int abend=1)
+{
+  if (lmp->comm->me == 0) {
+    if (lmp->screen) fputs(msg,lmp->screen);
+    if (lmp->logfile) fputs(msg,lmp->logfile);
+  }
+  if (abend)
+    lmp->error->all(FLERR,"This fix style is no longer available");
+}
+
 /* ---------------------------------------------------------------------- */
 
 FixDeprecated::FixDeprecated(LAMMPS *lmp, int narg, char **arg) :
   Fix(lmp, narg, arg)
 {
-  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"
-    "by the more general fix ave/chunk and compute chunk/atom commands.\n"
-    "All ave/spatial and ave/spatial/sphere functionality is available in these\n"
-    "new commands. These ave/spatial keywords & options are part of fix ave/chunk:\n"
-    "  Nevery, Nrepeat, Nfreq, input values, norm, ave, file, overwrite, title123\n"
-    "These ave/spatial keywords & options for binning are part of compute chunk/atom:\n"
-    "  dim, origin, delta, region, bound, discard, units\n\n";
+  if (strcmp(style,"DEPRECATED") == 0) {
+    writemsg(lmp,"\nFix style 'DEPRECATED' is a dummy style\n\n",0);
 
-    if (comm->me == 0) {
-      if (screen) fputs(message,screen);
-      if (logfile) fputs(message,logfile);
-    }
+  } else if (strncmp(style,"ave/spatial",11) == 0) {
+    writemsg(lmp,"\nFix styles 'ave/spatial' and 'ave/spatial/sphere' have "
+             "been replaced\nby the more general fix ave/chunk and compute "
+             "chunk/atom commands.\nAll ave/spatial and ave/spatial/sphere "
+             "functionality is available in these\nnew commands. These "
+             "ave/spatial keywords & options are part of fix ave/chunk:\n"
+             "  Nevery, Nrepeat, Nfreq, input values, norm, ave, file, "
+             "overwrite, title123\nThese ave/spatial keywords & options for "
+             "binning are part of compute chunk/atom:\n  dim, origin, delta,"
+             " region, bound, discard, units\n\n");
   }
-  error->all(FLERR,"This fix command has been removed from LAMMPS");
 }

src/fix_deprecated.h

@@ -15,6 +15,7 @@
 
 // list all deprecated and removed fix styles here
 
+FixStyle(DEPRECATED,FixDeprecated)
 FixStyle(ave/spatial,FixDeprecated)
 FixStyle(ave/spatial/sphere,FixDeprecated)
 

src/improper_deprecated.cpp

@@ -0,0 +1,57 @@
+/* ----------------------------------------------------------------------
+   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 <cstring>
+#include "improper_deprecated.h"
+#include "improper_hybrid.h"
+#include "comm.h"
+#include "force.h"
+#include "error.h"
+
+using namespace LAMMPS_NS;
+
+static void writemsg(LAMMPS *lmp, const char *msg, int abend=1)
+{
+  if (lmp->comm->me == 0) {
+    if (lmp->screen) fputs(msg,lmp->screen);
+    if (lmp->logfile) fputs(msg,lmp->logfile);
+  }
+  if (abend)
+    lmp->error->all(FLERR,"This improper style is no longer available");
+}
+
+/* ---------------------------------------------------------------------- */
+
+void ImproperDeprecated::settings(int, char **)
+{
+  const char *my_style = force->improper_style;
+
+  // hybrid substyles are created in ImproperHybrid::settings(), so when this is
+  // called, our style was just added at the end of the list of substyles
+
+  if (strncmp(my_style,"hybrid",6) == 0) {
+    ImproperHybrid *hybrid = (ImproperHybrid *)force->improper;
+    my_style = hybrid->keywords[hybrid->nstyles];
+  }
+
+  if (strcmp(my_style,"DEPRECATED") == 0) {
+    writemsg(lmp,"\nImproper style 'DEPRECATED' is a dummy style\n\n",0);
+
+  }
+}  
+
+

src/improper_deprecated.h

@@ -0,0 +1,46 @@
+/* -*- 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 IMPROPER_CLASS
+
+ImproperStyle(DEPRECATED,ImproperDeprecated)
+
+#else
+
+#ifndef LMP_IMPROPER_DEPRECATED_H
+#define LMP_IMPROPER_DEPRECATED_H
+
+#include "improper.h"
+
+namespace LAMMPS_NS {
+
+class ImproperDeprecated : public Improper {
+ public:
+  ImproperDeprecated(class LAMMPS *lmp) : Improper(lmp) {}
+  virtual ~ImproperDeprecated() {}
+
+  virtual void compute(int, int) {}
+  virtual void settings(int, char **);
+  virtual void coeff(int, char **) {}
+  virtual void write_restart(FILE *) {}
+  virtual void read_restart(FILE *) {}
+};
+
+}
+
+#endif
+#endif
+
+/* ERROR/WARNING messages:
+
+*/

src/input.h

@@ -24,6 +24,8 @@ namespace LAMMPS_NS {
 class Input : protected Pointers {
   friend class Info;
   friend class Error;
+  friend class Deprecated;
+
  public:
   int narg;                    // # of command args
   char **arg;                  // parsed args for command
@@ -38,9 +40,11 @@ class Input : protected Pointers {
                                  // substitute for variables in a string
   int expand_args(int, char **, int, char **&);  // expand args due to wildcard
 
+ protected:
+  char *command;               // ptr to current command
+
  private:
   int me;                      // proc ID
-  char *command;               // ptr to current command
   int maxarg;                  // max # of args in arg
   char *line,*copy,*work;      // input line & copy and work string
   int maxline,maxcopy,maxwork; // max lengths of char strings

src/modify.cpp

@@ -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");
   }
 

src/pair_deprecated.cpp

@@ -0,0 +1,57 @@
+/* ----------------------------------------------------------------------
+   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 <cstring>
+#include "pair_deprecated.h"
+#include "pair_hybrid.h"
+#include "comm.h"
+#include "force.h"
+#include "error.h"
+
+using namespace LAMMPS_NS;
+
+static void writemsg(LAMMPS *lmp, const char *msg, int abend=1)
+{
+  if (lmp->comm->me == 0) {
+    if (lmp->screen) fputs(msg,lmp->screen);
+    if (lmp->logfile) fputs(msg,lmp->logfile);
+  }
+  if (abend)
+    lmp->error->all(FLERR,"This pair style is no longer available");
+}
+
+/* ---------------------------------------------------------------------- */
+
+void PairDeprecated::settings(int, char **)
+{
+  const char *my_style = force->pair_style;
+
+  // hybrid substyles are created in PairHybrid::settings(), so when this is
+  // called, our style was just added at the end of the list of substyles
+
+  if (strncmp(my_style,"hybrid",6) == 0) {
+    PairHybrid *hybrid = (PairHybrid *)force->pair;
+    my_style = hybrid->keywords[hybrid->nstyles];
+  }
+
+  if (strcmp(my_style,"DEPRECATED") == 0) {
+    writemsg(lmp,"\nPair style 'DEPRECATED' is a dummy style\n\n",0);
+
+  }
+}  
+
+

src/pair_deprecated.h

@@ -0,0 +1,45 @@
+/* -*- 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 *lmp) : Pair(lmp) {}
+  virtual ~PairDeprecated() {}
+
+  virtual void compute(int, int) {}
+  virtual void settings(int, char **);
+  virtual void coeff(int, char **) {}
+
+};
+
+}
+
+#endif
+#endif
+
+/* ERROR/WARNING messages:
+
+*/

src/pair_hybrid.cpp

@@ -281,7 +281,7 @@ void PairHybrid::settings(int narg, char **arg)
   iarg = 0;
   nstyles = 0;
   while (iarg < narg) {
-    if (strcmp(arg[iarg],"hybrid") == 0)
+    if (strncmp(arg[iarg],"hybrid",6) == 0)
       error->all(FLERR,"Pair style hybrid cannot have hybrid as an argument");
     if (strcmp(arg[iarg],"none") == 0)
       error->all(FLERR,"Pair style hybrid cannot have none as an argument");

src/pair_hybrid.h

@@ -32,6 +32,7 @@ class PairHybrid : public Pair {
   friend class Force;
   friend class Respa;
   friend class Info;
+  friend class PairDeprecated;
  public:
   PairHybrid(class LAMMPS *);
   virtual ~PairHybrid();

src/region_deprecated.cpp

@@ -0,0 +1,40 @@
+/* ----------------------------------------------------------------------
+   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.
+------------------------------------------------------------------------- */
+
+#include <cstring>
+#include "region_deprecated.h"
+#include "comm.h"
+#include "error.h"
+
+using namespace LAMMPS_NS;
+
+static void writemsg(LAMMPS *lmp, const char *msg, int abend=1)
+{
+  if (lmp->comm->me == 0) {
+    if (lmp->screen) fputs(msg,lmp->screen);
+    if (lmp->logfile) fputs(msg,lmp->logfile);
+  }
+  if (abend)
+    lmp->error->all(FLERR,"This region style is no longer available");
+}
+
+/* ---------------------------------------------------------------------- */
+
+RegionDeprecated::RegionDeprecated(LAMMPS *lmp, int narg, char **arg) :
+  Region(lmp, narg, arg)
+{
+  if (strcmp(style,"DEPRECATED") == 0) {
+    writemsg(lmp,"\nRegion style 'DEPRECATED' is a dummy style\n\n",0);
+
+  }
+}

src/region_deprecated.h

@@ -0,0 +1,50 @@
+/* -*- 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 REGION_CLASS
+
+// list all deprecated and removed region styles here
+
+RegionStyle(DEPRECATED,RegionDeprecated)
+
+#else
+
+#ifndef LMP_REGION_DEPRECATED_H
+#define LMP_REGION_DEPRECATED_H
+
+#include "region.h"
+
+namespace LAMMPS_NS {
+
+class RegionDeprecated : public Region {
+ public:
+  RegionDeprecated(class LAMMPS *, int, char **);
+  ~RegionDeprecated() {}
+  virtual void init() {}
+  virtual int inside(double, double, double) { return 0; }
+  virtual int surface_interior(double *, double) { return 0; }
+  virtual int surface_exterior(double *, double) { return 0; }
+ };
+
+}
+
+#endif
+#endif
+
+/* ERROR/WARNING messages:
+
+E: This region command has been removed from LAMMPS
+
+UNDOCUMENTED
+
+*/