41 lines
1.4 KiB
C++
41 lines
1.4 KiB
C++
/* ----------------------------------------------------------------------
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LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
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www.cs.sandia.gov/~sjplimp/lammps.html
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Steve Plimpton, sjplimp@sandia.gov, Sandia National Laboratories
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Copyright (2003) Sandia Corporation. Under the terms of Contract
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DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
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certain rights in this software. This software is distributed under
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the GNU General Public License.
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See the README file in the top-level LAMMPS directory.
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------------------------------------------------------------------------- */
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#include "string.h"
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#include "bond.h"
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#include "atom.h"
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#include "error.h"
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/* -----------------------------------------------------------------------
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set bond contribution to Vdwl energy to 0.0
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a particular bond style can override this
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------------------------------------------------------------------------- */
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Bond::Bond()
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{
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allocated = 0;
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eng_vdwl = 0.0;
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}
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/* ----------------------------------------------------------------------
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check if all coeffs are set
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------------------------------------------------------------------------- */
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void Bond::init()
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{
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if (!allocated) error->all("Bond coeffs are not set");
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for (int i = 1; i <= atom->nbondtypes; i++)
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if (setflag[i] == 0) error->all("All bond coeffs are not set");
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init_style();
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}
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