Page Menu
Home
c4science
Search
Configure Global Search
Log In
Files
F90913590
pair_gauss_cut.h
No One
Temporary
Actions
Download File
Edit File
Delete File
View Transforms
Subscribe
Mute Notifications
Award Token
Subscribers
None
File Metadata
Details
File Info
Storage
Attached
Created
Tue, Nov 5, 22:46
Size
1 KB
Mime Type
text/x-c
Expires
Thu, Nov 7, 22:46 (2 d)
Engine
blob
Format
Raw Data
Handle
21793505
Attached To
rLAMMPS lammps
pair_gauss_cut.h
View Options
/* -*- c++ -*- ----------------------------------------------------------
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.
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#ifdef PAIR_CLASS
PairStyle
(
gauss
/
cut
,
PairGaussCut
)
#else
#ifndef LMP_PAIR_GAUSS_CUT_H
#define LMP_PAIR_GAUSS_CUT_H
#include "pair.h"
namespace
LAMMPS_NS
{
class
PairGaussCut
:
public
Pair
{
public:
PairGaussCut
(
class
LAMMPS
*
);
~
PairGaussCut
();
virtual
void
compute
(
int
,
int
);
virtual
double
single
(
int
,
int
,
int
,
int
,
double
,
double
,
double
,
double
&
);
virtual
void
settings
(
int
,
char
**
);
virtual
void
coeff
(
int
,
char
**
);
virtual
double
init_one
(
int
,
int
);
virtual
void
write_restart
(
FILE
*
);
virtual
void
read_restart
(
FILE
*
);
virtual
void
write_restart_settings
(
FILE
*
);
virtual
void
read_restart_settings
(
FILE
*
);
virtual
double
memory_usage
();
protected:
double
cut_global
;
double
**
cut
;
double
**
hgauss
,
**
sigmah
,
**
rmh
;
double
**
pgauss
,
**
offset
;
void
allocate
();
};
}
#endif
#endif
Event Timeline
Log In to Comment