diff --git a/src/angle_deprecated.cpp b/src/angle_deprecated.cpp new file mode 100644 index 0000000000..66efbfacbc --- /dev/null +++ b/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 +#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); + + } +} + + diff --git a/src/angle_deprecated.h b/src/angle_deprecated.h new file mode 100644 index 0000000000..631df37da2 --- /dev/null +++ b/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: + +*/ diff --git a/src/bond_deprecated.cpp b/src/bond_deprecated.cpp new file mode 100644 index 0000000000..e7d91df7b5 --- /dev/null +++ b/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 +#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); + + } +} + + diff --git a/src/bond_deprecated.h b/src/bond_deprecated.h new file mode 100644 index 0000000000..e81b7a5b27 --- /dev/null +++ b/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: + +*/ diff --git a/src/dihedral_deprecated.cpp b/src/dihedral_deprecated.cpp new file mode 100644 index 0000000000..138d0971a8 --- /dev/null +++ b/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 +#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); + + } +} + + diff --git a/src/dihedral_deprecated.h b/src/dihedral_deprecated.h new file mode 100644 index 0000000000..216791f623 --- /dev/null +++ b/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: + +*/ diff --git a/src/improper_deprecated.cpp b/src/improper_deprecated.cpp new file mode 100644 index 0000000000..e03fd785a7 --- /dev/null +++ b/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 +#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); + + } +} + + diff --git a/src/improper_deprecated.h b/src/improper_deprecated.h new file mode 100644 index 0000000000..04ecfeeb98 --- /dev/null +++ b/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: + +*/ diff --git a/src/pair_deprecated.h b/src/pair_deprecated.h index 779dedee9a..29d6efffaf 100644 --- a/src/pair_deprecated.h +++ b/src/pair_deprecated.h @@ -42,43 +42,4 @@ class PairDeprecated : public Pair { /* 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. - */