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Pull requests: theochem/chemtools

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Pull requests list

Fix #57: Add energy validation for ORCA output files
#60 opened Jan 23, 2026 by manvirsingh01 Loading…
Adding Critical Points (Vectorized) and Finding Bond Paths
#59 opened Mar 6, 2024 by Ali-Tehrani Loading…
QTAIM Surface Algorithm
#56 opened May 1, 2023 by Ali-Tehrani Loading…
6 tasks
Support Python3 & Python2
#51 opened Aug 31, 2021 by FarnazH Loading…
2 of 6 tasks
Merge GSOC Implementations
#49 opened Aug 26, 2021 by nwoodweb Loading…
Topology
#47 opened Aug 4, 2021 by Ali-Tehrani Loading…
1 of 5 tasks
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