Multi-physics Extension of OpenFMO Framework
arXiv:0707.2630 · doi:10.1063/1.2835969
Abstract
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.
4 pages with 11 figure files, to appear in the Proceedings of ICCMSE 2007