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pair_oxdna2_stk.cpp
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Sat, Oct 19, 02:02
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Mon, Oct 21, 02:02 (2 d)
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rLAMMPS lammps
pair_oxdna2_stk.cpp
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/* ----------------------------------------------------------------------
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.
------------------------------------------------------------------------- */
/* ----------------------------------------------------------------------
Contributing author: Oliver Henrich (University of Strathclyde, Glasgow)
------------------------------------------------------------------------- */
#include <math.h>
#include <stdio.h>
#include <stdlib.h>
#include <string.h>
#include "pair_oxdna2_stk.h"
using namespace LAMMPS_NS;
/* ---------------------------------------------------------------------- */
PairOxdna2Stk::PairOxdna2Stk(LAMMPS *lmp) : PairOxdnaStk(lmp)
{
}
/* ---------------------------------------------------------------------- */
PairOxdna2Stk::~PairOxdna2Stk()
{
}
/* ----------------------------------------------------------------------
return temperature dependent oxDNA2 stacking strength
------------------------------------------------------------------------- */
double PairOxdna2Stk::stacking_strength(double T)
{
double eps;
eps = 1.3523 + 2.6717 * T;
return eps;
}
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