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Pull requests: jensengroup/xyz2mol

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Pull requests list

provide a light update of the README.md
#42 opened Mar 26, 2024 by nbehrnd Loading…
Update requirements.txt
#39 opened May 28, 2023 by nbehrnd Loading…
reference to the presentation of xyz2mol
#35 opened Jul 21, 2022 by nbehrnd Loading…
Funct read_xyz_file expanded
#29 opened Feb 4, 2022 by ffmulks Loading…
penalize charged atoms
#25 opened Apr 28, 2021 by diogomart Loading…
pre-commit, setup and args setup
#24 opened Jan 27, 2021 by charnley Loading…
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