/usr/include/liggghts/atom_vec.h is in libliggghts-dev 2.3.8-1build1.
This file is owned by root:root, with mode 0o644.
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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 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 96 97 98 99 100 101 102 103 104 105 | /* ----------------------------------------------------------------------
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_ATOM_VEC_H
#define LMP_ATOM_VEC_H
#include "pointers.h"
namespace LAMMPS_NS {
class AtomVec : protected Pointers {
public:
int molecular; // 0 = atomic, 1 = molecular system
int bonds_allow,angles_allow; // 1 if bonds, angles are used
int dihedrals_allow,impropers_allow; // 1 if dihedrals, impropers used
int mass_type; // 1 if per-type masses
int dipole_type; // 1 if per-type dipole moments
int comm_x_only; // 1 if only exchange x in forward comm
int comm_f_only; // 1 if only exchange f in reverse comm
int size_forward; // # of values per atom in comm
int size_reverse; // # in reverse comm
int size_border; // # in border comm
int size_velocity; // # of velocity based quantities
int size_data_atom; // number of values in Atom line
int size_data_vel; // number of values in Velocity line
int size_data_bonus; // number of values in Bonus line
int xcol_data; // column (1-N) where x is in Atom line
int cudable; // 1 if atom style is CUDA-enabled
int *maxsend; // CUDA-specific variable
AtomVec(class LAMMPS *, int, char **);
virtual ~AtomVec() {}
virtual void init();
virtual void grow(int) = 0;
virtual void grow_reset() = 0;
virtual void copy(int, int, int) = 0;
virtual void clear_bonus() {}
virtual int pack_comm(int, int *, double *, int, int *) = 0;
virtual int pack_comm_vel(int, int *, double *, int, int *) = 0;
virtual int pack_comm_hybrid(int, int *, double *) {return 0;}
virtual void unpack_comm(int, int, double *) = 0;
virtual void unpack_comm_vel(int, int, double *) = 0;
virtual int unpack_comm_hybrid(int, int, double *) {return 0;}
virtual int pack_reverse(int, int, double *) = 0;
virtual int pack_reverse_hybrid(int, int, double *) {return 0;}
virtual void unpack_reverse(int, int *, double *) = 0;
virtual int unpack_reverse_hybrid(int, int *, double *) {return 0;}
virtual int pack_border(int, int *, double *, int, int *) = 0;
virtual int pack_border_vel(int, int *, double *, int, int *) = 0;
virtual int pack_border_hybrid(int, int *, double *) {return 0;}
virtual void unpack_border(int, int, double *) = 0;
virtual void unpack_border_vel(int, int, double *) = 0;
virtual int unpack_border_hybrid(int, int, double *) {return 0;}
virtual int pack_exchange(int, double *) = 0;
virtual int unpack_exchange(double *) = 0;
virtual int size_restart() = 0;
virtual int pack_restart(int, double *) = 0;
virtual int unpack_restart(double *) = 0;
virtual void create_atom(int, double *) = 0;
virtual void data_atom(double *, int, char **) = 0;
virtual void data_atom_bonus(int, char **) {}
virtual int data_atom_hybrid(int, char **) {return 0;}
virtual void data_vel(int, char **);
virtual int data_vel_hybrid(int, char **) {return 0;}
virtual bigint memory_usage() = 0;
protected:
int nmax; // local copy of atom->nmax
int deform_vremap; // local copy of domain properties
int deform_groupbit;
double *h_rate;
};
}
#endif
/* ERROR/WARNING messages:
E: USER-CUDA package requires a cuda enabled atom_style
Self-explanatory.
*/
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