Page Menu
Home
c4science
Search
Configure Global Search
Log In
Files
F88059927
dihedral_harmonic_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
Wed, Oct 16, 13:56
Size
1 KB
Mime Type
text/x-c++
Expires
Fri, Oct 18, 13:56 (2 d)
Engine
blob
Format
Raw Data
Handle
21709087
Attached To
rLAMMPS lammps
dihedral_harmonic_omp.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 DIHEDRAL_CLASS
DihedralStyle(harmonic/omp,DihedralHarmonicOMP)
#else
#ifndef LMP_DIHEDRAL_HARMONIC_OMP_H
#define LMP_DIHEDRAL_HARMONIC_OMP_H
#include "stdio.h"
#include "dihedral_omp.h"
namespace LAMMPS_NS {
class DihedralHarmonicOMP : public DihedralOMP {
public:
DihedralHarmonicOMP(class LAMMPS *);
~DihedralHarmonicOMP();
virtual void compute(int, int);
virtual void coeff(int, int, char **);
virtual void write_restart(FILE *);
virtual void read_restart(FILE *);
virtual double memory_usage();
protected:
template <int EVFLAG, int EFLAG, int NEWTON_BOND> void eval();
private:
double *k,*cos_shift,*sin_shift;
int *sign,*multiplicity;
void allocate();
};
}
#endif
#endif
Event Timeline
Log In to Comment