/usr/include/liggghts/dihedral_hybrid.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 | /* ----------------------------------------------------------------------
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 DIHEDRAL_CLASS
DihedralStyle(hybrid,DihedralHybrid)
#else
#ifndef LMP_DIHEDRAL_HYBRID_H
#define LMP_DIHEDRAL_HYBRID_H
#include "stdio.h"
#include "dihedral.h"
namespace LAMMPS_NS {
class DihedralHybrid : public Dihedral {
public:
int nstyles; // # of different dihedral styles
Dihedral **styles; // class list for each Dihedral style
char **keywords; // keyword for each dihedral style
DihedralHybrid(class LAMMPS *);
~DihedralHybrid();
void compute(int, int);
void settings(int, char **);
void coeff(int, char **);
void init_style();
void write_restart(FILE *);
void read_restart(FILE *);
double memory_usage();
private:
int *map; // which style each dihedral type points to
int *ndihedrallist; // # of dihedrals in sub-style dihedrallists
int *maxdihedral; // max # of dihedrals sub-style lists can store
int ***dihedrallist; // dihedrallist for each sub-style
void allocate();
};
}
#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: Dihedral style hybrid cannot use same dihedral style twice
Self-explanatory.
E: Dihedral style hybrid cannot have hybrid as an argument
Self-explanatory.
E: Dihedral style hybrid cannot have none as an argument
Self-explanatory.
E: Dihedral coeff for hybrid has invalid style
Dihedral style hybrid uses another dihedral style as one of its
coefficients. The dihedral style used in the dihedral_coeff command
or read from a restart file is not recognized.
*/
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