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Pull requests: grimme-lab/xtb

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Pull requests list

Improve CMake reuse of vendored subprojects
#1413 opened May 31, 2026 by Growl1234 Contributor Loading…
gfnff_shake_fix
#1402 opened Apr 28, 2026 by Ehsanam1773 Loading…
read dot files from geometry file directory
#1399 opened Apr 15, 2026 by chselz Contributor Loading…
Implementation of O1NumHess algorithm
#1381 opened Jan 27, 2026 by lmseidler Member Loading…
Add support of framework Accelerate for MacOS
#1371 opened Dec 14, 2025 by foxtran Contributor Loading…
Remove CPCM-X library
#1325 opened Jul 2, 2025 by foxtran Contributor Loading…
Fix copying of TMolecule
#1292 opened May 21, 2025 by foxtran Contributor Loading…
add json output for tblite enhancement New feature or request
#985 opened Mar 7, 2024 by Albkat Member Loading…
Fix metadynamics switchon
#803 opened Apr 12, 2023 by susilehtola Contributor Loading…
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