Mar 18, 2024
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Apr 17, 2024
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Commit Message | Contributor | Files Modified | Lines Added | Lines Removed | Code Location | Date |
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lammps.py errors (#4458) | More... | 16 days ago | ||||
Fix: Pca.py doctest error (#4377) | More... | 17 days ago | ||||
Convert "Quantity" to raw value for kinetic_energy and potential_energy in OpenMM reader (#4548) | More... | 18 days ago | ||||
dihedral selection (phi,psi,omega,chi1) methods can handle empty groups (#4529) | More... | 19 days ago | ||||
Fix: align.py doctest error (PR #4521) | More... | 19 days ago | ||||
Implement iterative average structure (Issue #2039) (PR #4524) | More... | 19 days ago | ||||
Fix: groups.py doctest fixes (#4374) | More... | 19 days ago | ||||
Added tqdm bar for: pca.transform() (#4531) | More... | 20 days ago | ||||
ENH: support tpx 133 (GMX 2024.1) (#4523) | More... | 23 days ago |