/usr/include/liggghts/angle_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 86 87 88 89 90 91 92 93 94 95 | /* ----------------------------------------------------------------------
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 ANGLE_CLASS
AngleStyle(hybrid,AngleHybrid)
#else
#ifndef LMP_ANGLE_HYBRID_H
#define LMP_ANGLE_HYBRID_H
#include "stdio.h"
#include "angle.h"
namespace LAMMPS_NS {
class AngleHybrid : public Angle {
public:
int nstyles; // # of different angle styles
Angle **styles; // class list for each Angle style
char **keywords; // keyword for each Angle style
AngleHybrid(class LAMMPS *);
~AngleHybrid();
void compute(int, int);
void settings(int, char **);
void coeff(int, char **);
void init_style();
double equilibrium_angle(int);
void write_restart(FILE *);
void read_restart(FILE *);
double single(int, int, int, int);
double memory_usage();
private:
int *map; // which style each angle type points to
int *nanglelist; // # of angles in sub-style anglelists
int *maxangle; // max # of angles sub-style lists can store
int ***anglelist; // anglelist 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: Angle style hybrid cannot use same angle style twice
Self-explanatory.
E: Angle style hybrid cannot have hybrid as an argument
Self-explanatory.
E: Angle style hybrid cannot have none as an argument
Self-explanatory.
E: Angle coeff for hybrid has invalid style
Angle style hybrid uses another angle style as one of its
coefficients. The angle style used in the angle_coeff command or read
from a restart file is not recognized.
E: Invoked angle equil angle on angle style none
Self-explanatory.
E: Invoked angle single on angle style none
Self-explanatory.
*/
|