xtb¶
xtb - An extended tight-binding semi-empirical program package.
homepage: https://www.chemie.uni-bonn.de/pctc/mulliken-center/grimme/software/xtb
| version | versionsuffix | toolchain |
|---|---|---|
6.2.2-hotfix |
-Python-3.6.3 |
intel/2017b |
6.2.3 |
foss/2019b |
|
6.4.1 |
foss/2021b |
|
6.4.1 |
intel/2021a |
|
6.5.0 |
foss/2021b |
|
6.5.1 |
foss/2022a |
|
6.6.0 |
foss/2022a |
|
6.6.0 |
intel/2022a |
|
6.6.1 |
gfbf/2022b |
|
6.6.1 |
gfbf/2023a |
|
6.7.0 |
gfbf/2023a |
|
6.7.1 |
gfbf/2023b |
(quick links: (all) - 0 - a - b - c - d - e - f - g - h - i - j - k - l - m - n - o - p - q - r - s - t - u - v - w - x - y - z)