Multi-physics Extension of OpenFMO Framework
Toshiya Takami, タカミ, トシヤ, Maki, Jun, 真木, 淳, マキ, ジュン, Ooba, Junichi, オオバ, ジュンイチ, Inadomi, Yuichi, 稲富, 雄一, イナドミ, ユウイチ, Hiroaki Honda, 本田, 宏明, ホンダ, ヒロアキ, Ryutaro Susukita, 薄田, 竜太郎, ススキタ, リュウタロウ, Koji Inoue, 井上, 弘士, イノウエ, コウジ, Taizo R. Kobayashi · Institutional Repositories DataBase (IRDB) · 2007
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.