Page Menu
Home
c4science
Search
Configure Global Search
Log In
Files
F92819748
atom_vec_charge.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, Nov 23, 23:10
Size
2 KB
Mime Type
text/x-c
Expires
Mon, Nov 25, 23:10 (1 d, 21 h)
Engine
blob
Format
Raw Data
Handle
21256245
Attached To
rLAMMPS lammps
atom_vec_charge.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 ATOM_CLASS
AtomStyle
(
charge
,
AtomVecCharge
)
#else
#ifndef LMP_ATOM_VEC_CHARGE_H
#define LMP_ATOM_VEC_CHARGE_H
#include "atom_vec.h"
namespace
LAMMPS_NS
{
class
AtomVecCharge
:
public
AtomVec
{
public:
AtomVecCharge
(
class
LAMMPS
*
);
virtual
~
AtomVecCharge
()
{}
void
grow
(
int
);
void
grow_reset
();
void
copy
(
int
,
int
,
int
);
virtual
int
pack_comm
(
int
,
int
*
,
double
*
,
int
,
int
*
);
virtual
int
pack_comm_vel
(
int
,
int
*
,
double
*
,
int
,
int
*
);
virtual
void
unpack_comm
(
int
,
int
,
double
*
);
virtual
void
unpack_comm_vel
(
int
,
int
,
double
*
);
int
pack_reverse
(
int
,
int
,
double
*
);
void
unpack_reverse
(
int
,
int
*
,
double
*
);
virtual
int
pack_border
(
int
,
int
*
,
double
*
,
int
,
int
*
);
virtual
int
pack_border_vel
(
int
,
int
*
,
double
*
,
int
,
int
*
);
int
pack_border_hybrid
(
int
,
int
*
,
double
*
);
virtual
void
unpack_border
(
int
,
int
,
double
*
);
virtual
void
unpack_border_vel
(
int
,
int
,
double
*
);
int
unpack_border_hybrid
(
int
,
int
,
double
*
);
virtual
int
pack_exchange
(
int
,
double
*
);
virtual
int
unpack_exchange
(
double
*
);
int
size_restart
();
int
pack_restart
(
int
,
double
*
);
int
unpack_restart
(
double
*
);
void
create_atom
(
int
,
double
*
);
void
data_atom
(
double
*
,
imageint
,
char
**
);
int
data_atom_hybrid
(
int
,
char
**
);
void
pack_data
(
double
**
);
int
pack_data_hybrid
(
int
,
double
*
);
void
write_data
(
FILE
*
,
int
,
double
**
);
int
write_data_hybrid
(
FILE
*
,
double
*
);
bigint
memory_usage
();
protected:
tagint
*
tag
;
int
*
type
,
*
mask
;
imageint
*
image
;
double
**
x
,
**
v
,
**
f
;
double
*
q
;
};
}
#endif
#endif
/* ERROR/WARNING messages:
E: Per-processor system is too big
The number of owned atoms plus ghost atoms on a single
processor must fit in 32-bit integer.
E: Invalid atom type in Atoms section of data file
Atom types must range from 1 to specified # of types.
*/
Event Timeline
Log In to Comment