Efficient And Fully Differentiable Extended Tight-Binding
APACHE-2.0 License
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Published by marvinfriede about 1 month ago
Windows and macOS support (without the libcint interface).
libcint
interface optional by @marvinfriede in https://github.com/grimme-lab/dxtb/pull/166
Full Changelog: https://github.com/grimme-lab/dxtb/compare/v0.0.1...v0.1.0
Initial release of dxtb.