xtb¶
Description¶
Semiempirical Extended Tight-Binding Program Package.
More information¶
- Homepage: https://xtb-docs.readthedocs.io
Availability¶
| Module | Manneback | Lemaitre4 |
|---|---|---|
| xtb/6.5.0-foss-2021b | √ | |
| xtb/6.5.0-intel-2021a | √ | |
| xtb/6.6.1-foss-2021b | √ | |
| xtb/6.6.1-foss-2023a | √ | |
| xtb/6.7.0-foss-2023a | √ | |
| xtb/6.7.0-gfbf-2023a | √ | |
| xtb/6.7.1-gfbf-2023b | √ | √ |