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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 | /* ----------------------------------------------------------------------
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.
------------------------------------------------------------------------- */
#ifndef LMP_SPECIAL_H
#define LMP_SPECIAL_H
#include "pointers.h"
namespace LAMMPS_NS {
class Special : protected Pointers {
public:
Special(class LAMMPS *);
~Special();
void build();
private:
int me,nprocs;
int **onetwo,**onethree,**onefour;
int dihedral_flag;
void combine();
void angle_trim();
void dihedral_trim();
};
}
#endif
/* ERROR/WARNING messages:
E: 1-3 bond count is inconsistent
An inconsistency was detected when computing the number of 1-3
neighbors for each atom. This likely means something is wrong with
the bond topologies you have defined.
E: 1-4 bond count is inconsistent
An inconsistency was detected when computing the number of 1-4
neighbors for each atom. This likely means something is wrong with
the bond topologies you have defined.
*/
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