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reaxc_basic_comm.h
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Sat, Oct 5, 06:36
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rLAMMPS lammps
reaxc_basic_comm.h
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/*----------------------------------------------------------------------
PuReMD - Purdue ReaxFF Molecular Dynamics Program
Copyright (2010) Purdue University
Hasan Metin Aktulga, hmaktulga@lbl.gov
Joseph Fogarty, jcfogart@mail.usf.edu
Sagar Pandit, pandit@usf.edu
Ananth Y Grama, ayg@cs.purdue.edu
Please cite the related publication:
H. M. Aktulga, J. C. Fogarty, S. A. Pandit, A. Y. Grama,
"Parallel Reactive Molecular Dynamics: Numerical Methods and
Algorithmic Techniques", Parallel Computing, in press.
This program is free software; you can redistribute it and/or
modify it under the terms of the GNU General Public License as
published by the Free Software Foundation; either version 2 of
the License, or (at your option) any later version.
This program 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.
See the GNU General Public License for more details:
<http://www.gnu.org/licenses/>.
----------------------------------------------------------------------*/
#ifndef __BASIC_COMM_H_
#define __BASIC_COMM_H_
#include "reaxc_types.h"
void
real_packer
(
void
*
,
mpi_out_data
*
);
void
rvec_packer
(
void
*
,
mpi_out_data
*
);
void
rvec2_packer
(
void
*
,
mpi_out_data
*
);
void
Dist
(
reax_system
*
,
mpi_datatypes
*
,
void
*
,
MPI_Datatype
,
int
,
dist_packer
);
void
real_unpacker
(
void
*
,
void
*
,
mpi_out_data
*
);
void
rvec_unpacker
(
void
*
,
void
*
,
mpi_out_data
*
);
void
rvec2_unpacker
(
void
*
,
void
*
,
mpi_out_data
*
);
void
Coll
(
reax_system
*
,
mpi_datatypes
*
,
void
*
,
MPI_Datatype
,
int
,
coll_unpacker
);
real
Parallel_Norm
(
real
*
,
int
,
MPI_Comm
);
real
Parallel_Dot
(
real
*
,
real
*
,
int
,
MPI_Comm
);
real
Parallel_Vector_Acc
(
real
*
,
int
,
MPI_Comm
);
#if defined(TEST_FORCES)
void
Coll_ids_at_Master
(
reax_system
*
,
storage
*
,
mpi_datatypes
*
);
void
Coll_rvecs_at_Master
(
reax_system
*
,
storage
*
,
mpi_datatypes
*
,
rvec
*
);
#endif
#endif
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