Page Menu
Home
c4science
Search
Configure Global Search
Log In
Files
F86547647
pair_lj_class2.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
Mon, Oct 7, 03:43
Size
1 KB
Mime Type
text/x-c
Expires
Wed, Oct 9, 03:43 (1 d, 23 h)
Engine
blob
Format
Raw Data
Handle
21445051
Attached To
rLAMMPS lammps
pair_lj_class2.h
View Options
/* ----------------------------------------------------------------------
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
www.cs.sandia.gov/~sjplimp/lammps.html
Steve Plimpton, sjplimp@sandia.gov, Sandia National Laboratories
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.
------------------------------------------------------------------------- */
#ifndef PAIR_LJ_CLASS2_H
#define PAIR_LJ_CLASS2_H
#include "pair.h"
class
PairLJClass2
:
public
Pair
{
public:
PairLJClass2
()
{}
~
PairLJClass2
();
void
compute
(
int
,
int
);
void
settings
(
int
,
char
**
);
void
coeff
(
int
,
char
**
);
double
init_one
(
int
,
int
);
void
write_restart
(
FILE
*
);
void
read_restart
(
FILE
*
);
void
write_restart_settings
(
FILE
*
);
void
read_restart_settings
(
FILE
*
);
void
single
(
int
,
int
,
int
,
int
,
double
,
double
,
double
,
int
,
One
&
);
private:
double
cut_global
;
double
**
cut
;
double
**
epsilon
,
**
sigma
;
double
**
lj1
,
**
lj2
,
**
lj3
,
**
lj4
,
**
offset
;
void
allocate
();
};
#endif
Event Timeline
Log In to Comment