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Pull requests: theochem/iodata

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Pull requests list

Fix load_many crash on single-atom/single-step FCHK optimizations
#404 opened Jan 23, 2026 by Ao-chuba Loading…
1
9
Added the trexio support
#393 opened Dec 10, 2025 by dhruvDev23 Loading…
1
19
Added .mol functionality
#290 opened Jun 3, 2022 by nwoodweb Loading…
7
Add QCSchema Basis
#280 opened Sep 12, 2021 by wilhadams Loading…
4
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