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Merge branch 'main' of https://github.com/Thomas3R/xtb into main

v6.3.2

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Bump version number to 6.3.2 (grimme-lab#291)

v6.3.1

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Bump xtb version number to 6.3.1 (grimme-lab#254)

v6.3.0

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Add possibility to set numerical accuracy in API (grimme-lab#232)

- also give access to max iterations and electronic temperature
- add possibilities to access wavefunction
- remove initial newline from returned buffer

v6.2.3

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Patch user input to mopac to ensure gradient printout (grimme-lab#147)

- also warn user that input has been patched

v6.3-pre.1

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awvwgk Sebastian Ehlert
bump version to 6.3.0

v6.2.2

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bump version to 6.2.2 (grimme-lab#71)

v6.2.2-hotfix

Bugfix: ANC-opt hessian read-in error

v6.2.1

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Atomlist class (grimme-lab#25)

- introduce atomlist class
- wraps usually used atomic lists
- allows for direct use with list io
- add unit test for all functionalities
- introduced atomlist for user data readin
- replaced IO for lists with atom list class
- replaced wbo fragment printout with atom list based IO

v6.2

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awvwgk Sebastian Ehlert
initialized repository from 6.2 release branch