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
/* -*- c++ -*- ----------------------------------------------------------
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.
------------------------------------------------------------------------- */
// Pointers class contains ptrs to master copy of
// fundamental LAMMPS class ptrs stored in lammps.h
// every LAMMPS class inherits from Pointers to access lammps.h ptrs
// these variables are auto-initialized by Pointer class constructor
// *& variables are really pointers to the pointers in lammps.h
// & enables them to be accessed directly in any class, e.g. atom->x
#ifndef LMP_POINTERS_H
#define LMP_POINTERS_H
#include "lmptype.h" // IWYU pragma: export
#include <mpi.h> // IWYU pragma: export
#include <cstddef> // IWYU pragme: export
#include <cstdio> // IWYU pragma: export
#include "lammps.h" // IWYU pragma: export
namespace LAMMPS_NS {
// universal defines inside namespace
#define FLERR __FILE__,__LINE__
#define MIN(A,B) ((A) < (B) ? (A) : (B))
#define MAX(A,B) ((A) > (B) ? (A) : (B))
// enum used for KOKKOS host/device flags
enum ExecutionSpace{Host,Device};
// global forward declarations
template <class T> class MyPoolChunk;
template <class T> class MyPage;
class Pointers {
public:
Pointers(LAMMPS *ptr) :
lmp(ptr),
memory(ptr->memory),
error(ptr->error),
universe(ptr->universe),
input(ptr->input),
atom(ptr->atom),
update(ptr->update),
neighbor(ptr->neighbor),
comm(ptr->comm),
domain(ptr->domain),
force(ptr->force),
modify(ptr->modify),
group(ptr->group),
output(ptr->output),
timer(ptr->timer),
world(ptr->world),
infile(ptr->infile),
screen(ptr->screen),
logfile(ptr->logfile),
atomKK(ptr->atomKK),
memoryKK(ptr->memoryKK),
python(ptr->python) {}
virtual ~Pointers() {}
protected:
LAMMPS *lmp;
Memory *&memory;
Error *&error;
Universe *&universe;
Input *&input;
Atom *&atom;
Update *&update;
Neighbor *&neighbor;
Comm *&comm;
Domain *&domain;
Force *&force;
Modify *&modify;
Group *&group;
Output *&output;
Timer *&timer;
MPI_Comm &world;
FILE *&infile;
FILE *&screen;
FILE *&logfile;
class AtomKokkos *&atomKK;
class MemoryKokkos *&memoryKK;
class Python *&python;
};
}
#endif