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Pull requests: MolSSI/QCElemental

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Pull requests list

Allow floating point numbers for multiplicities
#318 opened Aug 3, 2023 by awvwgk Loading…
2 tasks done
1
11
Don't change global state when hashing molecule
#315 by awvwgk was merged Sep 29, 2023 Loading…
2 tasks done
4
Make sure extras is initialized as dict for Molecule
#305 by awvwgk was merged May 2, 2023 Loading…
2 tasks done
1
@coltonbh
2
Enable CI testing on feature branches as well
#259 by awvwgk was merged Mar 12, 2021 Loading…
2 tasks done
1
1
Allow to write Fortran header from codata
#257 by awvwgk was merged Mar 14, 2021 Loading…
2 tasks done
1
6
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