Page Menu
Home
c4science
Search
Configure Global Search
Log In
Files
F91549655
pair_tersoff_table_omp.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 12, 03:21
Size
1 KB
Mime Type
text/x-c
Expires
Thu, Nov 14, 03:21 (2 d)
Engine
blob
Format
Raw Data
Handle
22281921
Attached To
rLAMMPS lammps
pair_tersoff_table_omp.h
View Options
/* -*- c++ -*- ----------------------------------------------------------
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
http://lammps.sandia.gov, Sandia National Laboratories
Steve Plimpton, sjplimp@sandia.gov
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
/* ----------------------------------------------------------------------
Contributing author: Axel Kohlmeyer (Temple U)
------------------------------------------------------------------------- */
#ifdef PAIR_CLASS
PairStyle
(
tersoff
/
table
/
omp
,
PairTersoffTableOMP
)
#else
#ifndef LMP_PAIR_TERSOFF_TABLE_OMP_H
#define LMP_PAIR_TERSOFF_TABLE_OMP_H
#include "pair_tersoff_table.h"
#include "thr_omp.h"
namespace
LAMMPS_NS
{
class
PairTersoffTableOMP
:
public
PairTersoffTable
,
public
ThrOMP
{
public:
PairTersoffTableOMP
(
class
LAMMPS
*
);
virtual
~
PairTersoffTableOMP
();
virtual
void
compute
(
int
,
int
);
virtual
double
memory_usage
();
protected:
double
***
thrGtetaFunction
,
***
thrGtetaFunctionDerived
;
double
**
thrCutoffFunction
,
**
thrCutoffFunctionDerived
;
void
allocatePreLoops
(
void
);
void
deallocatePreLoops
(
void
);
private:
template
<
int
EVFLAG
,
int
VFLAG_ATOM
>
void
eval
(
int
ifrom
,
int
ito
,
ThrData
*
const
thr
);
};
}
#endif
#endif
Event Timeline
Log In to Comment