BSD Portsscience/dkh 1.2_6 DragonFly
Wolf, Reiher, and Hess's Douglas-Kroll-Hess relativistic correction
- System
- DragonFly
- Repository
- DPorts
- Maintainer
- [email protected] (as in FreeBSD)
- License
- GPLv3
- Categories
- science
- Package size
- 48.1 KiB, 145.2 KiB installed
Description
Computation of Wolf, Reiher, and Hess's Douglas-Kroll-Hess relativistic correction at 2nd-4th order wrapped in CMake for the Psi4 project.
It is based on these publications: * A. Wolf, M. Reiher, B. A. Hess, J. Chem. Phys. 117, 9215 (2002); http://dx.doi.org/10.1063/1.1515314 * M. Reiher, A. Wolf, J. Chem. Phys. 121, 10945 (2004); http://dx.doi.org/10.1063/1.1818681
In the other systems
| System | Port | Version |
|---|---|---|
| DragonFly | science/dkh | 1.2_6 |
| FreeBSD | science/dkh | 1.2_6 |
Install
Binary package:
pkg install dkhFrom DPorts:
cd /usr/dports/science/dkh && make install cleanDependencies
Run dependencies 1
No port depends on this one.