/usr/include/liggghts/fix_minimize.h is in libliggghts-dev 2.3.8-1build1.
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 | /* ----------------------------------------------------------------------
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(MINIMIZE,FixMinimize)
#else
#ifndef LMP_FIX_MINIMIZE_H
#define LMP_FIX_MINIMIZE_H
#include "fix.h"
namespace LAMMPS_NS {
class FixMinimize : public Fix {
friend class MinLineSearch;
public:
FixMinimize(class LAMMPS *, int, char **);
~FixMinimize();
int setmask();
void init() {}
double memory_usage();
void grow_arrays(int);
void copy_arrays(int, int);
int pack_exchange(int, double *);
int unpack_exchange(int, double *);
void add_vector(int);
double *request_vector(int);
void store_box();
void reset_coords();
private:
int nvector;
int *peratom;
double **vectors;
double boxlo[3],boxhi[3];
void box_swap();
};
}
#endif
#endif
/* ERROR/WARNING messages:
*/
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