BSD Portsscience/latte 1.2.2_6 DragonFly
Quantum chemistry: Density functional tight binding molecular dynamics
- System
- DragonFly
- Repository
- DPorts
- Maintainer
- [email protected] (as in FreeBSD)
- License
- GPLv3
- Categories
- science
- Package size
- 381.9 KiB, 1215.7 KiB installed
Description
A molecular dynamics package based around self-consistent-charge density functional tight binding theory.
Features: * Forces computed at the SCC-DFTB level. * Provides forces and the potential component of the total energy. * Integrates the electronic degrees of freedom (XL) (provides charges). * Solves the electronic structure of the system. * Several solvers such as SP2, Truncated SP2, Chebyshev polynomial expansion, etc.
In the other systems
| System | Port | Version |
|---|---|---|
| DragonFly | science/latte | 1.2.2_6 |
| FreeBSD | science/latte | 1.2.2_8 |
| GhostBSD | science/latte | 1.2.2_8 |
Install
Binary package:
pkg install latteFrom DPorts:
cd /usr/dports/science/latte && make install cleanDependencies
Run dependencies 2
No port depends on this one.