/* -*- 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(set,Set) #else #ifndef LMP_SET_H #define LMP_SET_H #include "pointers.h" namespace LAMMPS_NS { class Set : protected Pointers { public: Set(class LAMMPS *lmp) : Pointers(lmp) {}; void command(int, char **); private: char *id; int *select; int style,ivalue,newtype,count,index_custom; int ximage,yimage,zimage,ximageflag,yimageflag,zimageflag; double dvalue,xvalue,yvalue,zvalue,wvalue,fraction; int cc_index; int varflag,varflag1,varflag2,varflag3,varflag4; int ivar1,ivar2,ivar3,ivar4; double *vec1,*vec2,*vec3,*vec4; int discflag; void selection(int); void set(int); void setrandom(int); void topology(int); void varparse(char *, int); }; } #endif #endif /* ERROR/WARNING messages: E: Set command before simulation box is defined The set command cannot be used before a read_data, read_restart, or create_box command. E: Set command with no atoms existing No atoms are yet defined so the set command cannot be used. 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: Invalid value in set command The value specified for the setting is invalid, likely because it is too small or too large. E: Invalid random number seed in set command Random number seed must be > 0. E: Cannot set this attribute for this atom style The attribute being set does not exist for the defined atom style. E: Invalid dipole length in set command Self-explanatory. E: Invalid density in set command Density must be > 0.0. E: Density/disc option requires 2d simulation UNDOCUMENTED E: Invalid volume in set command Volume must be > 0.0. E: Cannot set non-zero image flag for non-periodic dimension Self-explanatory. E: Cannot set meso/e for this atom style Self-explanatory. E: Cannot set meso/cv for this atom style Self-explanatory. E: Cannot set meso/rho for this atom style Self-explanatory. E: Cannot set edpd/temp for this atom style UNDOCUMENTED E: Cannot set edpd/cv for this atom style UNDOCUMENTED E: Cannot set cc for this atom style UNDOCUMENTED E: Cannot set smd/mass/density for this atom style Self-explanatory. E: Cannot set smd/contact/radius for this atom style Self-explanatory. E: Cannot set dpd/theta for this atom style Self-explanatory. E: Set command integer vector does not exist Self-explanatory. E: Set command floating point vector does not exist Self-explanatory. E: Cannot use set atom with no atom IDs defined Atom IDs are not defined, so they cannot be used to identify an atom. E: Cannot use set mol with no molecule IDs defined Self-explanatory. E: Could not find set group ID Group ID specified in set command does not exist. E: Set region ID does not exist Region ID specified in set command does not exist. W: Changing a property of atoms in rigid bodies that has no effect unless rigid bodies are rebuild UNDOCUMENTED E: Invalid mass in set command Self-explanatory. E: Invalid diameter in set command Self-explanatory. E: Invalid shape in set command Self-explanatory. E: Invalid length in set command Self-explanatory. E: Cannot set quaternion for atom that has none Self-explanatory. E: Cannot set quaternion with xy components for 2d system Self-explanatory. E: Cannot set theta for atom that is not a line Self-explanatory. E: Cannot set bond topology types for atom style template The bond, angle, etc types cannot be changed for this atom style since they are static settings in the molecule template files. E: Bond atom missing in set command The set command cannot find one or more atoms in a particular bond on a particular processor. The pairwise cutoff is too short or the atoms are too far apart to make a valid bond. E: Angle atom missing in set command The set command cannot find one or more atoms in a particular angle on a particular processor. The pairwise cutoff is too short or the atoms are too far apart to make a valid angle. E: Dihedral atom missing in set command The set command cannot find one or more atoms in a particular dihedral on a particular processor. The pairwise cutoff is too short or the atoms are too far apart to make a valid dihedral. E: Improper atom missing in set command The set command cannot find one or more atoms in a particular improper on a particular processor. The pairwise cutoff is too short or the atoms are too far apart to make a valid improper. E: Variable name for set command does not exist Self-explanatory. E: Variable for set command is invalid style Only atom-style variables can be used. */