Package xtb
Semiempirical Extended Tight-Binding Program Package
https://github.com/grimme-lab/xtb/
The xtb program package developed by the Grimme group in Bonn.
Version: 6.7.1
General Commands | |
| xtb | performs semiempirical quantummechanical calculations, for version 6.0 and newer |
Miscellanea | |
| xcontrol | instruction file for `xtb(1)` version 6.0 and newer |