Page Menu
Home
c4science
Search
Configure Global Search
Log In
Files
F86645924
verlet_intel.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, 18:31
Size
1 KB
Mime Type
text/x-c
Expires
Wed, Oct 9, 18:31 (1 d, 22 h)
Engine
blob
Format
Raw Data
Handle
21462610
Attached To
rLAMMPS lammps
verlet_intel.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.
------------------------------------------------------------------------- */
#ifdef INTEGRATE_CLASS
IntegrateStyle
(
verlet
/
intel
,
VerletIntel
)
#else
#ifndef LMP_VERLET_INTEL_H
#define LMP_VERLET_INTEL_H
#include "integrate.h"
#ifdef LMP_INTEL_OFFLOAD
#include "fix_intel.h"
#endif
namespace
LAMMPS_NS
{
class
VerletIntel
:
public
Integrate
{
public:
VerletIntel
(
class
LAMMPS
*
,
int
,
char
**
);
virtual
~
VerletIntel
()
{}
virtual
void
init
();
virtual
void
setup
();
virtual
void
setup_minimal
(
int
);
virtual
void
run
(
int
);
void
cleanup
();
protected:
int
triclinic
;
// 0 if domain is orthog, 1 if triclinic
int
torqueflag
,
erforceflag
;
int
e_flag
,
rho_flag
;
virtual
void
force_clear
();
#ifdef _LMP_INTEL_OFFLOAD
FixIntel
*
fix_intel
;
int
sync_mode
;
#endif
};
}
#endif
#endif
/* ERROR/WARNING messages:
W: No fixes defined, atoms won't move
If you are not using a fix like nve, nvt, npt then atom velocities and
coordinates will not be updated during timestepping.
E: Cannot currently get per-atom virials with intel package.
The Intel package does not yet support per-atom virial calculation.
*/
Event Timeline
Log In to Comment