Homec4science
Diffusion lammps (lammm-master-deprecated) Browse

lammps/src/PERI/pair_peri_pmb.h
775e8f3cc8f5lammm-master-deprecated

Last Change
Raw File

pair_peri_pmb.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(peri/pmb,PairPeriPMB)
#else
#ifndef LMP_PAIR_PERI_PMB_H
#define LMP_PAIR_PERI_PMB_H
#include "pair.h"
namespace LAMMPS_NS {
class PairPeriPMB : public Pair {
public:
PairPeriPMB(class LAMMPS *);
virtual ~PairPeriPMB();
virtual void compute(int, int);
void settings(int, char **);
void coeff(int, char **);
double init_one(int, int);
void init_style();
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 &);
virtual double memory_usage();
protected:
int ifix_peri;
double **kspring;
double **s00, **alpha;
double **cut;
double *s0_new;
int nmax;
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.
E: All pair coeffs are not set
All pair coefficients must be set in the data file or by the
pair_coeff command before running a simulation.
E: Pair style peri requires atom style peri
Self-explanatory.
E: Pair peri requires an atom map, see atom_modify
Even for atomic systems, an atom map is required to find Peridynamic
bonds. Use the atom_modify command to define one.
E: Pair peri lattice is not identical in x, y, and z
The lattice defined by the lattice command must be cubic.
E: Fix peri neigh does not exist
Somehow a fix that the pair style defines has been deleted.
*/
c4science · Help