mirror of https://github.com/lammps/lammps.git
91 lines
2.3 KiB
C++
91 lines
2.3 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(displace_atoms,DisplaceAtoms)
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#else
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#ifndef LMP_DISPLACE_ATOMS_H
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#define LMP_DISPLACE_ATOMS_H
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#include "pointers.h"
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namespace LAMMPS_NS {
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class DisplaceAtoms : protected Pointers {
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public:
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DisplaceAtoms(class LAMMPS *);
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~DisplaceAtoms();
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void command(int, char **);
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private:
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int igroup,groupbit;
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int scaleflag;
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double *mvec;
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void move(int, char *, double);
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void options(int, char **);
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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: Displace_atoms command before simulation box is defined
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The displace_atoms command cannot be used before a read_data,
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read_restart, or create_box command.
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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: Cannot displace_atoms after reading restart file with per-atom info
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This is because the restart file info cannot be migrated with the
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atoms. You can get around this by performing a 0-timestep run which
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will assign the restart file info to actual atoms.
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E: Could not find displace_atoms group ID
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Group ID used in the displace_atoms command does not exist.
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E: Invalid displace_atoms rotate axis for 2d
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Axis must be in z direction.
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E: Zero length rotation vector with displace_atoms
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Self-explanatory.
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W: Lost atoms via displace_atoms: original %ld current %ld
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The command options you have used caused atoms to be lost.
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E: Variable name for displace_atoms does not exist
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Self-explanatory.
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E: Variable for displace_atoms is invalid style
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It must be an equal-style or atom-style variable.
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*/
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