psi4
An ab initio quantum chemistry package
PSI4 is an open-source suite of ab initio quantum chemistry programs designed for efficient, high-accuracy simulations of a variety of molecular properties. We can routinely perform computations with more than 2500 basis functions running serially or in parallel.
Releases Overview
| Release | Stable | Testing |
|---|---|---|
| Fedora Rawhide | 1.3.2-13.fc35 | - |
| Fedora 35 | 1.3.2-13.fc35 | - |
| Fedora 34 | 1.3.2-10.fc34 | - |
Package Info
Related Packages
- Upstream: http://www.psicode.org/
- License(s): LGPLv3 and MIT
- Maintainer: jussilehtola
Related Packages
You can contact the maintainers of this package via email at
psi4 dash maintainers at fedoraproject dot org.
Sources on Pagure