套件: nwchem-data (7.0.0-2)
nwchem-data 的相關超連結
Trisquel 的資源:
下載原始碼套件 nwchem:
維護者:
Original Maintainers:
- Debichem Team (郵件存檔)
- Michael Banck
外部的資源:
- 主頁 [www.nwchem-sw.org]
相似套件:
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.