OpenFMO framework, an open-source software (OSS) platform for Fragment Molecular Orbital (FMO) method, is extended to multi-physics simulations (MPS). After reviewing the several FMO implementations on distributed computer environments, the subsequent development planning corresponding to MPS is presented. It is discussed which should be selected as a scientific software, lightweight and reconfigurable form or large and self-contained form.
@article{arxiv.0707.2630,
title = {Multi-physics Extension of OpenFMO Framework},
author = {Toshiya Takami and Jun Maki and Jun'ichi Ooba and Yuuichi Inadomi and Hiroaki Honda and Ryutaro Susukita and Koji Inoue and Taizo Kobayashi and Rie Nogita and Mutsumi Aoyagi},
journal= {arXiv preprint arXiv:0707.2630},
year = {2009}
}
Comments
4 pages with 11 figure files, to appear in the Proceedings of ICCMSE 2007