Published March 6, 2026
| Version v3.0.6
Software
Open
grimme-lab/CENSO: v3.0.6
Authors/Creators
- 1. Microsoft Research, AI for Science
- 2. @FACCTs
- 3. beeOLED GmbH
Description
Summary
- Fixed various issues and completed solvent mappings. No guarantee that truly every possible mapping was caught.
- DFAs without dispersion correction should now work correctly for ORCA.
What's Changed
- dfa.json cleanup and fixed ORCA problems with *-novdw functionals by @luggiku in https://github.com/grimme-lab/CENSO/pull/123
- Fix/130 by @lmseidler in https://github.com/grimme-lab/CENSO/pull/132
- Fix solvent mappings by @lmseidler in https://github.com/grimme-lab/CENSO/pull/125
New Contributors
- @luggiku made their first contribution in https://github.com/grimme-lab/CENSO/pull/123
Full Changelog: https://github.com/grimme-lab/CENSO/compare/v3.0.5...v3.0.6
Files
grimme-lab/CENSO-v3.0.6.zip
Files
(412.1 kB)
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|---|---|---|
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Additional details
Related works
- Is supplement to
- Software: https://github.com/grimme-lab/CENSO/tree/v3.0.6 (URL)
Software
- Repository URL
- https://github.com/grimme-lab/CENSO