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reaxc_tool_box.h
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Created
Mon, Sep 30, 15:36
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text/x-c
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Wed, Oct 2, 15:36 (1 d, 22 h)
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rLAMMPS lammps
reaxc_tool_box.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 __TOOL_BOX_H_
#define __TOOL_BOX_H_
#include "reaxc_types.h"
#include "reaxc_defs.h"
/* from system_props.h */
double
Get_Time
(
);
/* from io_tools.h */
int
Tokenize
(
char
*
,
char
***
);
/* from lammps */
void
*
smalloc
(
rc_bigint
,
const
char
*
,
MPI_Comm
);
void
*
scalloc
(
rc_bigint
,
rc_bigint
,
const
char
*
,
MPI_Comm
);
void
sfree
(
void
*
,
const
char
*
);
#endif
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