forked from lijiext/lammps
156 lines
3.7 KiB
C++
156 lines
3.7 KiB
C++
/* -*- c++ -*- ----------------------------------------------------------
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LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
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http://lammps.sandia.gov, Sandia National Laboratories
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Steve Plimpton, sjplimp@sandia.gov
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Copyright (2003) Sandia Corporation. Under the terms of Contract
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DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
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certain rights in this software. This software is distributed under
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the GNU General Public License.
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See the README file in the top-level LAMMPS directory.
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------------------------------------------------------------------------- */
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#ifdef COMMAND_CLASS
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CommandStyle(velocity,Velocity)
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#else
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#ifndef LMP_VELOCITY_H
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#define LMP_VELOCITY_H
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#include "pointers.h"
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namespace LAMMPS_NS {
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class Velocity : protected Pointers {
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public:
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Velocity(class LAMMPS *);
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void command(int, char **);
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void init_external(const char *);
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void options(int, char **);
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void create(double, int);
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private:
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int igroup,groupbit;
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int style;
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int dist_flag,sum_flag,momentum_flag,rotation_flag;
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int bias_flag,loop_flag,scale_flag,rfix;
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double xscale,yscale,zscale;
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class Compute *temperature;
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void set(int, char **);
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void scale(int, char **);
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void ramp(int, char **);
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void zero(int, char **);
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void rescale(double, double);
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void zero_momentum();
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void zero_rotation();
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};
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}
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#endif
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#endif
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/* ERROR/WARNING messages:
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E: Illegal ... command
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Self-explanatory. Check the input script syntax and compare to the
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documentation for the command. You can use -echo screen as a
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command-line option when running LAMMPS to see the offending line.
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E: Velocity command before simulation box is defined
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The velocity command cannot be used before a read_data, read_restart,
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or create_box command.
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E: Velocity command with no atoms existing
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A velocity command has been used, but no atoms yet exist.
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E: Could not find velocity group ID
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A group ID used in the velocity command does not exist.
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W: Changing velocities of atoms in rigid bodies. This has no effect unless rigid bodies are rebuild
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UNDOCUMENTED
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W: Mismatch between velocity and compute groups
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The temperature computation used by the velocity command will not be
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on the same group of atoms that velocities are being set for.
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E: Too big a problem to use velocity create loop all
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The system size must fit in a 32-bit integer to use this option.
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E: Cannot use velocity create loop all unless atoms have IDs
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Atoms in the simulation to do not have IDs, so this style
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of velocity creation cannot be performed.
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E: Atom IDs must be consecutive for velocity create loop all
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Self-explanatory.
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E: Variable name for velocity set does not exist
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Self-explanatory.
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E: Variable for velocity set is invalid style
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Only atom-style variables can be used.
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E: Cannot set non-zero z velocity for 2d simulation
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Self-explanatory.
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E: Cannot set variable z velocity for 2d simulation
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Self-explanatory.
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E: Velocity ramp in z for a 2d problem
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Self-explanatory.
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E: Velocity rigid used with non-rigid fix-ID
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Self-explanatory.
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E: Attempting to rescale a 0.0 temperature
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Cannot rescale a temperature that is already 0.0.
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E: Cannot zero momentum of no atoms
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Self-explanatory.
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E: Could not find velocity temperature ID
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The compute ID needed by the velocity command to compute temperature
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does not exist.
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E: Velocity temperature ID does not compute temperature
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The compute ID given to the velocity command must compute
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temperature.
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E: Fix ID for velocity does not exist
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Self-explanatory.
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E: Cannot use velocity bias command without temp keyword
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Self-explanatory.
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E: Velocity temperature ID does calculate a velocity bias
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The specified compute must compute a bias for temperature.
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*/
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