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Pull requests: digital-chemistry-laboratory/morfeus

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6 Open 44 Closed
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Pull requests list

Switch from pkg_resources to packaging for parsing versions
#72 opened Jan 1, 2025 by berquist Loading…
Add import of the existing write_xyz function to the init file
#70 opened Nov 20, 2024 by LaurianeJD Loading…
Fix Permission denied error in ConformerEnsemble.prune_rmsd()
#67 opened Feb 1, 2024 by akalikadien Loading…
1
Distortion
#65 opened Dec 13, 2023 by jcadge Loading…
Handle no input coordinates in Gaussian log file
#61 opened Jun 18, 2023 by kjelljorner Loading…
1
Minor addition
#50 opened Sep 28, 2022 by rlaplaza Loading…
1
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