/usr/include/liggghts/lmptype.h

/* ----------------------------------------------------------------------
    This is the

    ██╗     ██╗ ██████╗  ██████╗  ██████╗ ██╗  ██╗████████╗███████╗
    ██║     ██║██╔════╝ ██╔════╝ ██╔════╝ ██║  ██║╚══██╔══╝██╔════╝
    ██║     ██║██║  ███╗██║  ███╗██║  ███╗███████║   ██║   ███████╗
    ██║     ██║██║   ██║██║   ██║██║   ██║██╔══██║   ██║   ╚════██║
    ███████╗██║╚██████╔╝╚██████╔╝╚██████╔╝██║  ██║   ██║   ███████║
    ╚══════╝╚═╝ ╚═════╝  ╚═════╝  ╚═════╝ ╚═╝  ╚═╝   ╚═╝   ╚══════╝®

    DEM simulation engine, released by
    DCS Computing Gmbh, Linz, Austria
    http://www.dcs-computing.com, office@dcs-computing.com

    LIGGGHTS® is part of CFDEM®project:
    http://www.liggghts.com | http://www.cfdem.com

    Core developer and main author:
    Christoph Kloss, christoph.kloss@dcs-computing.com

    LIGGGHTS® is open-source, distributed under the terms of the GNU Public
    License, version 2 or later. It is distributed in the hope that it will
    be useful, but WITHOUT ANY WARRANTY; without even the implied warranty
    of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. You should have
    received a copy of the GNU General Public License along with LIGGGHTS®.
    If not, see http://www.gnu.org/licenses . See also top-level README
    and LICENSE files.

    LIGGGHTS® and CFDEM® are registered trade marks of DCS Computing GmbH,
    the producer of the LIGGGHTS® software and the CFDEM®coupling software
    See http://www.cfdem.com/terms-trademark-policy for details.

-------------------------------------------------------------------------
    Contributing author and copyright for this file:
    This file is from LAMMPS
    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.
------------------------------------------------------------------------- */

// define integer data types used by LAMMPS and associated size limits

// smallint = variables for on-procesor system (nlocal, nmax, etc)
// tagint = variables for atom IDs (tag)
// bigint = variables for total system (natoms, ntimestep, etc)

// smallint must be an int, as defined by C compiler
// tagint can be 32-bit or 64-bit int, must be >= smallint
// bigint can be 32-bit or 64-bit int, must be >= tagint

// MPI_LMP_TAGINT = MPI data type corresponding to a tagint
// MPI_LMP_BIGINT = MPI data type corresponding to a bigint

#ifndef LMP_LMPTYPE_H
#define LMP_LMPTYPE_H

#ifndef __STDC_LIMIT_MACROS
#define __STDC_LIMIT_MACROS
#endif

#ifndef __STDC_FORMAT_MACROS
#define __STDC_FORMAT_MACROS
#endif

#include "limits.h"
#include <stdint.h>
#include "inttypes.h"

// grrr - IBM Power6 does not provide this def in their system header files

#ifndef PRId64
#define PRId64 "ld"
#endif

namespace LAMMPS_NS {

// reserve 2 hi bits in molecular system neigh list for special bonds flag
// max local + ghost atoms per processor = 2^30 - 1

#define SBBITS 30
#define NEIGHMASK 0x3FFFFFFF

// default to 32-bit smallint and tagint, 64-bit bigint

#if !defined(LAMMPS_SMALLSMALL) && !defined(LAMMPS_BIGBIG) && !defined(LAMMPS_SMALLBIG)
#define LAMMPS_SMALLBIG
#endif

// allow user override of LONGLONG to LONG, necessary for some machines/MPI

#ifdef LAMMPS_LONGLONG_TO_LONG
#define MPI_LL MPI_LONG
#define ATOLL atoll
#else
#define MPI_LL MPI_LONG_LONG
#define ATOLL atol
#endif

// for atomic problems that exceed 2 billion (2^31) atoms
// 32-bit smallint and tagint, 64-bit bigint

#ifdef LAMMPS_SMALLBIG

typedef int smallint;
typedef int tagint;
typedef int64_t bigint;

#define MAXSMALLINT INT_MAX
#define MAXTAGINT INT_MAX
#define MAXBIGINT INT64_MAX

#define MPI_LMP_TAGINT MPI_INT
#define MPI_LMP_BIGINT MPI_LL

#define TAGINT_FORMAT "%d"
#define BIGINT_FORMAT "%" PRId64

#define ATOTAGINT atoi
#define ATOBIGINT ATOLL

#define IMGMASK 1023
#define IMGMAX 512
#define IMGBITS 10
#define IMG2BITS 20

#endif

// for molecular problems that exceed 2 billion (2^31) atoms
// or problems where atoms wrap around the periodic box more than 512 times
// 32-bit smallint, 64-bit tagint and bigint

#ifdef LAMMPS_BIGBIG

typedef int smallint;
typedef int64_t tagint;
typedef int64_t bigint;

#define MAXSMALLINT INT_MAX
#define MAXTAGINT INT64_MAX
#define MAXBIGINT INT64_MAX

#define MPI_LMP_TAGINT MPI_LL
#define MPI_LMP_BIGINT MPI_LL

#define TAGINT_FORMAT "%" PRId64
#define BIGINT_FORMAT "%" PRId64

#define ATOTAGINT ATOLL
#define ATOBIGINT ATOLL

#define IMGMASK 2097151
#define IMGMAX 1048576
#define IMGBITS 21
#define IMG2BITS 42

#endif

// for machines that do not support 64-bit ints
// 32-bit smallint and tagint and bigint

#ifdef LAMMPS_SMALLSMALL

typedef int smallint;
typedef int tagint;
typedef int bigint;

#define MAXSMALLINT INT_MAX
#define MAXTAGINT INT_MAX
#define MAXBIGINT INT_MAX

#define MPI_LMP_TAGINT MPI_INT
#define MPI_LMP_BIGINT MPI_INT

#define TAGINT_FORMAT "%d"
#define BIGINT_FORMAT "%d"

#define ATOTAGINT atoi
#define ATOBIGINT atoi

#define IMGMASK 1023
#define IMGMAX 512
#define IMGBITS 10
#define IMG2BITS 20

#endif

}

// settings to enable LAMMPS to build under Windows

#ifdef _WIN32
#include "lmpwindows.h"
#endif

#endif
libliggghts-dev 3.7.0+repack1-1 / usr / include / liggghts / lmptype.h
