Page Menu
Home
c4science
Search
Configure Global Search
Log In
Files
F78649713
pair_lennard_mdf.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
Thu, Aug 22, 04:32
Size
1 KB
Mime Type
text/x-c
Expires
Sat, Aug 24, 04:32 (2 d)
Engine
blob
Format
Raw Data
Handle
18433601
Attached To
rLAMMPS lammps
pair_lennard_mdf.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 PAIR_CLASS
PairStyle(lennard/mdf,PairLJ_AB_MDF)
#else
#ifndef LMP_PAIR_LJ_AB_MDF_H
#define LMP_PAIR_LJ_AB_MDF_H
#include "pair.h"
namespace LAMMPS_NS {
class PairLJ_AB_MDF : public Pair {
public:
PairLJ_AB_MDF(class LAMMPS *);
virtual ~PairLJ_AB_MDF();
virtual void compute(int, int);
void settings(int, char **);
void coeff(int, char **);
double init_one(int, int);
void write_restart(FILE *);
void read_restart(FILE *);
void write_restart_settings(FILE *);
void read_restart_settings(FILE *);
double single(int, int, int, int, double, double, double, double &);
void *extract(const char *, int &);
protected:
double cut_global,cut_inner_global;
double **cut,**cut_inner,**cut_inner_sq;
double **aparm,**bparm;
double **lj1,**lj2,**lj3,**lj4;
void allocate();
};
}
#endif
#endif
/* ERROR/WARNING messages:
E: Illegal ... command
Self-explanatory. Check the input script syntax and compare to the
documentation for the command. You can use -echo screen as a
command-line option when running LAMMPS to see the offending line.
E: Incorrect args for pair coefficients
Self-explanatory. Check the input script or data file.
*/
Event Timeline
Log In to Comment