giudgiud / magpie

Mesoscale Atomistic Glue Program for Integrated Execution

Magpie

Magpie (Mesoscale Atomistic Glue Program for Integrated Execution) is a glue application to link various atomistic codes to applications based on the MOOSE Finite Element Framework.

Magpie provides coupling modules for

• SPPARKS - the kinetic Monte Carlo code by Sandia National Laboratory
• MyTRIM - a binary collision Monte Carlo code for ion transport in materials

Support is planned for

• LAMMPS - the molecular dynamics code by Sandia National Laboratory

and possibly others.

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Contrib

Part of this code uses the exact calculation of the overlap volume of spheres and mesh elements routines copyright (C) 2015-2018 by Severin Strobl [email protected] (http://dx.doi.org/10.1016/j.jcp.2016.02.003).

License

Copyright 2017 Battelle Energy Alliance, LLC

This library is free software; you can redistribute it and/or modify it under the terms of the GNU Lesser General Public License as published by the Free Software Foundation; either version 2.1 of the License, or (at your option) any later version.

This library is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU Lesser General Public License for more details.

You should have received a copy of the GNU Lesser General Public License along with this library; if not, write to the Free Software Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA