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reaxc_basic_comm.h
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Fri, Jul 5, 01:46

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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