bond.cpp
No OneTemporary
Actions

Subscribers

None

File Metadata

	/* ----------------------------------------------------------------------
	LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
	www.cs.sandia.gov/~sjplimp/lammps.html
	Steve Plimpton, sjplimp@sandia.gov, Sandia National Laboratories

	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.
	------------------------------------------------------------------------- */

	#include "string.h"
	#include "bond.h"
	#include "atom.h"
	#include "error.h"

	/* -----------------------------------------------------------------------
	set bond contribution to Vdwl energy to 0.0
	a particular bond style can override this
	------------------------------------------------------------------------- */

	Bond::Bond()
	{
	allocated = 0;
	eng_vdwl = 0.0;
	}

	/* ----------------------------------------------------------------------
	check if all coeffs are set
	------------------------------------------------------------------------- */

	void Bond::init()
	{
	if (!allocated) error->all("Bond coeffs are not set");
	for (int i = 1; i <= atom->nbondtypes; i++)
	if (setflag[i] == 0) error->all("All bond coeffs are not set");
	init_style();
	}