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bond_oxdna2_fene.h
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Fri, Jul 5, 03:12

bond_oxdna2_fene.h
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/* -*- 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 BOND_CLASS
BondStyle(oxdna2/fene,BondOxdna2Fene)
#else
#ifndef LMP_BOND_OXDNA2_FENE_H
#define LMP_BOND_OXDNA2_FENE_H
#include "bond_oxdna_fene.h"
namespace LAMMPS_NS {
class BondOxdna2Fene : public BondOxdnaFene {
public:
BondOxdna2Fene(class LAMMPS *);
virtual ~BondOxdna2Fene();
virtual void compute_interaction_sites(double *, double *, double *);
};
}
#endif
#endif
/* ERROR/WARNING messages:
W: FENE bond too long: %ld %d %d %g
A FENE bond has stretched dangerously far. It's interaction strength
will be truncated to attempt to prevent the bond from blowing up.
E: Bad FENE bond
Two atoms in a FENE bond have become so far apart that the bond cannot
be computed.
E: Incorrect args for bond coefficients
Self-explanatory. Check the input script or data file.
W: Use special bonds = 0,1,1 with bond style oxdna
Most FENE models need this setting for the special_bonds command.
W: FENE bond too long: %ld %g
A FENE bond has stretched dangerously far. It's interaction strength
will be truncated to attempt to prevent the bond from blowing up.
*/

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