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lammps/src/USER-MEAMC/meam_impl.cpp
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meam_impl.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: Sebastian Hütter (OvGU)
------------------------------------------------------------------------- */
#include "meam.h"
#include "memory.h"
using namespace LAMMPS_NS;
/* ---------------------------------------------------------------------- */
MEAM::MEAM(Memory* mem)
: memory(mem)
{
phir = phirar = phirar1 = phirar2 = phirar3 = phirar4 = phirar5 = phirar6 = NULL;
nmax = 0;
rho = rho0 = rho1 = rho2 = rho3 = frhop = NULL;
gamma = dgamma1 = dgamma2 = dgamma3 = arho2b = NULL;
arho1 = arho2 = arho3 = arho3b = t_ave = tsq_ave = NULL;
maxneigh = 0;
scrfcn = dscrfcn = fcpair = NULL;
}
MEAM::~MEAM()
{
memory->destroy(this->phirar6);
memory->destroy(this->phirar5);
memory->destroy(this->phirar4);
memory->destroy(this->phirar3);
memory->destroy(this->phirar2);
memory->destroy(this->phirar1);
memory->destroy(this->phirar);
memory->destroy(this->phir);
memory->destroy(this->rho);
memory->destroy(this->rho0);
memory->destroy(this->rho1);
memory->destroy(this->rho2);
memory->destroy(this->rho3);
memory->destroy(this->frhop);
memory->destroy(this->gamma);
memory->destroy(this->dgamma1);
memory->destroy(this->dgamma2);
memory->destroy(this->dgamma3);
memory->destroy(this->arho2b);
memory->destroy(this->arho1);
memory->destroy(this->arho2);
memory->destroy(this->arho3);
memory->destroy(this->arho3b);
memory->destroy(this->t_ave);
memory->destroy(this->tsq_ave);
memory->destroy(this->scrfcn);
memory->destroy(this->dscrfcn);
memory->destroy(this->fcpair);
}
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