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grimme-lab / dxtb Public

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Fork 24
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Pull requests: grimme-lab/dxtb

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Pull requests list

Support for spin-polarized calculations

#257 opened Apr 17, 2026 by chselz • Draft

[pre-commit.ci] pre-commit autoupdate

#256 opened Apr 13, 2026 by pre-commit-ci Bot

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Bug Fix: Fock Matrix Autograd Support in scp_mode="fock"

#214 opened Apr 3, 2025 by MauriceDHanisch • Draft

2

ProTip! Updated in the last three days: updated:>2026-05-05.

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