Homec4science
Diffusion lammps (lammm-devel) Browse

lammps/src/RIGID/compute_rigid_local.h
7edb294b447clammm-devel

Last Change
Raw File

compute_rigid_local.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 COMPUTE_CLASS
ComputeStyle(rigid/local,ComputeRigidLocal)
#else
#ifndef LMP_COMPUTE_RIGID_LOCAL_H
#define LMP_COMPUTE_RIGID_LOCAL_H
#include "compute.h"
namespace LAMMPS_NS {
class ComputeRigidLocal : public Compute {
public:
ComputeRigidLocal(class LAMMPS *, int, char **);
~ComputeRigidLocal();
void init();
void compute_local();
double memory_usage();
private:
int nvalues;
int ncount;
int *rstyle;
char *idrigid;
class FixRigidSmall *fixrigid;
int nmax;
double *vlocal;
double **alocal;
int compute_rigid(int);
void reallocate(int);
};
}
#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: Compute bond/local used when bonds are not allowed
The atom style does not support bonds.
E: Invalid keyword in compute bond/local command
Self-explanatory.
E: No bond style is defined for compute bond/local
Self-explanatory.
*/
c4science · Help