136 lines
3.8 KiB
C++
136 lines
3.8 KiB
C++
/* -*- c++ -*- ----------------------------------------------------------
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LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
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https://www.lammps.org/, Sandia National Laboratories
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LAMMPS development team: developers@lammps.org
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Copyright (2003) Sandia Corporation. Under the terms of Contract
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DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
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certain rights in this software. This software is distributed under
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the GNU General Public License.
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See the README file in the top-level LAMMPS directory.
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------------------------------------------------------------------------- */
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// clang-format off
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// Pointers class contains ptrs to master copy of
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// fundamental LAMMPS class ptrs stored in lammps.h
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// every LAMMPS class inherits from Pointers to access lammps.h ptrs
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// these variables are auto-initialized by Pointer class constructor
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// *& variables are really pointers to the pointers in lammps.h
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// & enables them to be accessed directly in any class, e.g. atom->x
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#ifndef LMP_POINTERS_H
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#define LMP_POINTERS_H
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#include "lmptype.h" // IWYU pragma: export
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#include <mpi.h> // IWYU pragma: export
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#include <cstddef> // IWYU pragme: export
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#include <cstdio> // IWYU pragma: export
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#include <string> // IWYU pragma: export
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#include <vector> // IWYU pragma: export
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#include "fmt/format.h" // IWYU pragma: export
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#include "lammps.h" // IWYU pragma: export
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#include "platform.h" // IWYU pragma: export
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#include "utils.h" // IWYU pragma: export
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namespace LAMMPS_NS {
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// universal defines inside namespace
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#define FLERR __FILE__,__LINE__
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#define MIN(A,B) ((A) < (B) ? (A) : (B))
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#define MAX(A,B) ((A) > (B) ? (A) : (B))
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// enum used for KOKKOS host/device flags
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enum ExecutionSpace{ Host, Device };
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// global forward declarations
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template <class T> class MyPoolChunk;
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template <class T> class MyPage;
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/** \class LAMMPS_NS::Pointers
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* \brief Base class for LAMMPS features
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*
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* The Pointers class contains references to many of the pointers
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* and members of the LAMMPS_NS::LAMMPS class. Derived classes thus
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* gain access to the constituent class instances in the LAMMPS
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* composite class and thus to the core functionality of LAMMPS.
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*
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* This kind of construct is needed, since the LAMMPS constructor
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* should only be run once per LAMMPS instance and thus classes
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* cannot be derived from LAMMPS itself. The Pointers class
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* constructor instead only initializes C++ references to component
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* pointer in the LAMMPS class. */
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class Pointers {
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public:
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Pointers(LAMMPS *ptr) :
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lmp(ptr),
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memory(ptr->memory),
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error(ptr->error),
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universe(ptr->universe),
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input(ptr->input),
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atom(ptr->atom),
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update(ptr->update),
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neighbor(ptr->neighbor),
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comm(ptr->comm),
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domain(ptr->domain),
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force(ptr->force),
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modify(ptr->modify),
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group(ptr->group),
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output(ptr->output),
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timer(ptr->timer),
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world(ptr->world),
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infile(ptr->infile),
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screen(ptr->screen),
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logfile(ptr->logfile),
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atomKK(ptr->atomKK),
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memoryKK(ptr->memoryKK),
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python(ptr->python) {}
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virtual ~Pointers() noexcept(false) {}
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// remove other default members
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Pointers() = delete;
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Pointers(const Pointers &) = default;
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Pointers(Pointers &&) = delete;
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Pointers & operator=(const Pointers&) = delete;
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Pointers & operator=(Pointers&&) = delete;
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protected:
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LAMMPS *lmp;
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Memory *&memory;
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Error *&error;
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Universe *&universe;
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Input *&input;
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Atom *&atom;
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Update *&update;
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Neighbor *&neighbor;
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Comm *&comm;
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Domain *&domain;
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Force *&force;
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Modify *&modify;
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Group *&group;
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Output *&output;
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Timer *&timer;
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MPI_Comm &world;
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FILE *&infile;
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FILE *&screen;
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FILE *&logfile;
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class AtomKokkos *&atomKK;
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class MemoryKokkos *&memoryKK;
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class Python *&python;
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};
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}
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#endif
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