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Pull requests: grimme-lab/xtb

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Pull requests list

Fix GFNFF SHAKE handling
#1401 opened Apr 27, 2026 by Ehsanam1773 Loading…
1
read dot files from geometry file directory
#1399 opened Apr 15, 2026 by chselz Contributor Loading…
1
Fix macOS actions
#1396 opened Apr 8, 2026 by marvinfriede Member Loading…
5
Remove CPCM-X library
#1325 opened Jul 2, 2025 by foxtran Contributor Loading…
14
Fix copying of TMolecule
#1292 opened May 21, 2025 by foxtran Contributor Loading…
4
add json output for tblite enhancement New feature or request
#985 opened Mar 7, 2024 by Albkat Member Loading…
1
2
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