Published January 17, 2022
| Version 0.10.3
Software
Open
nlesc-nano/CAT: CAT 0.10.3
Description
What's Changed
- REL: Update
master
branch after 0.10.2 release by @BvB93 in https://github.com/nlesc-nano/CAT/pull/223 - ENH: Allow
core.allignment: "surface"
for cores with <4 anchor atoms by @BvB93 in https://github.com/nlesc-nano/CAT/pull/224 - ENH: Allow the BDE workflow to parse qmflows-style generic keywords by @BvB93 in https://github.com/nlesc-nano/CAT/pull/225
- BUG: Fix the BDE
core_atom
andlig_count
keys not being optional by @BvB93 in https://github.com/nlesc-nano/CAT/pull/226 - ENH: Expose a keyword for the BDE XYn-preoptimization by @BvB93 in https://github.com/nlesc-nano/CAT/pull/227
Full Changelog: https://github.com/nlesc-nano/CAT/compare/0.10.2...0.10.3
Files
nlesc-nano/CAT-0.10.3.zip
Files
(24.0 MB)
Name | Size | Download all |
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md5:231ea9fc4c16e68c7e6a862b34ae20c2
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24.0 MB | Preview Download |
Additional details
Related works
- Is supplement to
- https://github.com/nlesc-nano/CAT/tree/0.10.3 (URL)