[ ソース: nwchem ]
パッケージ: nwchem-data (6.6+r27746-4build1)
nwchem-data に関するリンク
Trisquel の資源:
nwchem ソースパッケージをダウンロード:
- [nwchem_6.6+r27746-4build1.dsc]
- [nwchem_6.6+r27746.orig.tar.bz2]
- [nwchem_6.6+r27746-4build1.debian.tar.xz]
メンテナ:
Original Maintainers:
- Debichem Team (メールアーカイブ)
- Michael Banck
外部の資源:
- ホームページ [www.nwchem-sw.org]
類似のパッケージ:
High-performance computational chemistry software (data files)
NWChem is a computational chemistry program package. It provides methods which are scalable both in their ability to treat large scientific computational chemistry problems efficiently, and in their use of available parallel computing resources from high-performance parallel supercomputers to conventional workstation clusters.
This package contains the basis sets, pseudopotentials and AMBER/CHARMM parameter files.