/* -*- 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(velocity,Velocity) #else #ifndef LMP_VELOCITY_H #define LMP_VELOCITY_H #include "pointers.h" namespace LAMMPS_NS { class Velocity : protected Pointers { public: Velocity(class LAMMPS *); void command(int, char **); void init_external(const char *); void options(int, char **); void create(double, int); private: int igroup,groupbit; int style; int dist_flag,sum_flag,momentum_flag,rotation_flag; int bias_flag,loop_flag,scale_flag,rfix; double xscale,yscale,zscale; class Compute *temperature; void set(int, char **); void scale(int, char **); void ramp(int, char **); void zero(int, char **); void rescale(double, double); void zero_momentum(); void zero_rotation(); }; } #endif #endif /* ERROR/WARNING messages: 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: Velocity command before simulation box is defined The velocity command cannot be used before a read_data, read_restart, or create_box command. E: Velocity command with no atoms existing A velocity command has been used, but no atoms yet exist. E: Could not find velocity group ID A group ID used in the velocity command does not exist. W: Mismatch between velocity and compute groups The temperature computation used by the velocity command will not be on the same group of atoms that velocities are being set for. E: Too big a problem to use velocity create loop all The system size must fit in a 32-bit integer to use this option. E: Cannot use velocity create loop all unless atoms have IDs Atoms in the simulation to do not have IDs, so this style of velocity creation cannot be performed. E: Atom IDs must be consecutive for velocity create loop all Self-explanatory. E: Variable name for velocity set does not exist Self-explanatory. E: Variable for velocity set is invalid style Only atom-style variables can be used. E: Cannot set non-zero z velocity for 2d simulation Self-explanatory. E: Cannot set variable z velocity for 2d simulation Self-explanatory. E: Velocity ramp in z for a 2d problem Self-explanatory. E: Velocity rigid used with non-rigid fix-ID Self-explanatory. E: Attempting to rescale a 0.0 temperature Cannot rescale a temperature that is already 0.0. E: Cannot zero momentum of no atoms Self-explanatory. E: Could not find velocity temperature ID The compute ID needed by the velocity command to compute temperature does not exist. E: Velocity temperature ID does not compute temperature The compute ID given to the velocity command must compute temperature. E: Fix ID for velocity does not exist Self-explanatory. E: Cannot use velocity bias command without temp keyword Self-explanatory. E: Velocity temperature ID does calculate a velocity bias The specified compute must compute a bias for temperature. */