/usr/include/liggghts/fix_recenter.h is in libliggghts-dev 3.0.3+repack-2.
This file is owned by root:root, with mode 0o644.
The actual contents of the file can be viewed below.
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 | /* ----------------------------------------------------------------------
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 FIX_CLASS
FixStyle(recenter,FixRecenter)
#else
#ifndef LMP_FIX_RECENTER_H
#define LMP_FIX_RECENTER_H
#include "fix.h"
namespace LAMMPS_NS {
class FixRecenter : public Fix {
public:
FixRecenter(class LAMMPS *, int, char **);
int setmask();
void init();
void initial_integrate(int);
private:
int group2bit,scaleflag;
int xflag,yflag,zflag;
int xinitflag,yinitflag,zinitflag;
double xcom,ycom,zcom,xinit,yinit,zinit,masstotal;
};
}
#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: Could not find fix recenter group ID
A group ID used in the fix recenter command does not exist.
E: Fix recenter group has no atoms
Self-explanatory.
W: Fix recenter should come after all other integration fixes
Other fixes may change the position of the center-of-mass, so
fix recenter should come last.
U: Use of fix recenter with undefined lattice
Must use lattice command with fix recenter command if units option is
set to lattice.
*/
|