Page Menu
Home
c4science
Search
Configure Global Search
Log In
Files
F71800529
improper.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
Sat, Jul 13, 04:49
Size
1 KB
Mime Type
text/x-c
Expires
Mon, Jul 15, 04:49 (2 d)
Engine
blob
Format
Raw Data
Handle
18973828
Attached To
rLAMMPS lammps
improper.h
View Options
/* ----------------------------------------------------------------------
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.
------------------------------------------------------------------------- */
#ifndef IMPROPER_H
#define IMPROPER_H
#include "stdio.h"
#include "pointers.h"
namespace
LAMMPS_NS
{
class
Improper
:
protected
Pointers
{
public:
int
allocated
;
int
*
setflag
;
double
energy
;
double
virial
[
6
];
double
PI
;
Improper
(
class
LAMMPS
*
);
virtual
~
Improper
()
{}
virtual
void
init
();
virtual
void
compute
(
int
,
int
)
=
0
;
virtual
void
settings
(
int
,
char
**
)
{}
virtual
void
coeff
(
int
,
int
,
char
**
)
=
0
;
virtual
void
write_restart
(
FILE
*
)
=
0
;
virtual
void
read_restart
(
FILE
*
)
=
0
;
virtual
int
memory_usage
()
{
return
0
;}
};
}
#endif
Event Timeline
Log In to Comment