Page Menu
Home
c4science
Search
Configure Global Search
Log In
Files
F91313875
pair_born_coul_msm.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 9, 22:13
Size
1 KB
Mime Type
text/x-c
Expires
Mon, Nov 11, 22:13 (1 d, 23 h)
Engine
blob
Format
Raw Data
Handle
22123346
Attached To
rLAMMPS lammps
pair_born_coul_msm.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 PAIR_CLASS
PairStyle(born/coul/msm,PairBornCoulMSM)
#else
#ifndef LMP_PAIR_BORN_COUL_MSM_H
#define LMP_PAIR_BORN_COUL_MSM_H
#include "pair_born_coul_long.h"
namespace LAMMPS_NS {
class PairBornCoulMSM : public PairBornCoulLong {
public:
PairBornCoulMSM(class LAMMPS *);
virtual ~PairBornCoulMSM();
virtual void compute(int, int);
virtual double single(int, int, int, int, double, double, double, double &);
virtual void *extract(const char *, int &);
protected:
int nmax;
double **ftmp;
};
}
#endif
#endif
/* ERROR/WARNING messages:
E: Must use 'kspace_modify pressure/scalar no' to obtain per-atom virial with kspace_style MSM
The kspace scalar pressure option cannot be used to obtain per-atom virial.
*/
Event Timeline
Log In to Comment