/usr/include/liggghts/fix_heat.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 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 | /* ----------------------------------------------------------------------
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(heat,FixHeat)
#else
#ifndef LMP_FIX_HEAT_H
#define LMP_FIX_HEAT_H
#include "fix.h"
namespace LAMMPS_NS {
class FixHeat : public Fix {
public:
FixHeat(class LAMMPS *, int, char **);
~FixHeat();
int setmask();
void init();
void end_of_step();
double compute_scalar();
double memory_usage();
private:
int iregion;
double heat_input;
double masstotal;
double scale;
char *idregion;
char *hstr;
int hstyle,hvar;
int maxatom;
double *vheat;
double *vscale;
};
}
#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: Region ID for fix heat does not exist
Self-explanatory.
E: Variable name for fix heat does not exist
Self-explanatory.
E: Variable for fix heat is invalid style
Only equal-style or atom-style variables can be used.
E: Fix heat group has no atoms
Self-explanatory.
E: Fix heat kinetic energy went negative
This will cause the velocity rescaling about to be performed by fix
heat to be invalid.
E: Fix heat kinetic energy of an atom went negative
This will cause the velocity rescaling about to be performed by fix
heat to be invalid.
*/
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