libefp
A full implementation of the Effective Fragment Potential (EFP) method
The Effective Fragment Potential (EFP) method allows one to describe large molecular systems by replacing chemically inert part of a system by a set of Effective Fragments while performing regular ab initio calculation on the chemically active part. The LIBEFP library is a full implementation of the EFP method. It allows users to easily incorporate EFP support into their favourite quantum chemistry package.
Releases Overview
| Release | Stable | Testing |
|---|---|---|
| Fedora Rawhide | 1.5.0-11.fc35 | - |
| Fedora 35 | 1.5.0-11.fc35 | - |
| Fedora 34 | 1.5.0-10.fc34 | - |
Package Info
Related Packages
- Upstream: https://libefp.github.io/
- License(s): BSD
- Maintainer: jussilehtola
Related Packages
You can contact the maintainers of this package via email at
libefp dash maintainers at fedoraproject dot org.
Sources on Pagure