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xtb

xtb - An extended tight-binding semi-empirical program package.

homepage: https://xtb-docs.readthedocs.io

version toolchain
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)