[ ソース: psi4 ]
パッケージ: psi4-data (1:1.3.2+dfsg-2.1)
psi4-data に関するリンク
Trisquel の資源:
psi4 ソースパッケージをダウンロード:
メンテナ:
Original Maintainers:
- Debichem Team (メールアーカイブ)
- Michael Banck
- Graham Inggs
外部の資源:
- ホームページ [www.psicode.org]
類似のパッケージ:
Quantum Chemical Program Suite (data files)
PSI4 is an ab-initio quantum chemistry program. It is especially designed to accurately compute properties of small to medium molecules using highly correlated techniques. PSI4 is the parallelized successor of PSI3 and includes many state-of-the-art theoretical methods.
This package contains data files and the HTML documentation.