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Simplify PDB reader and add docs
Lint #151: Pull request #663 synchronize by oerc0122
February 25, 2025 11:44 16s oerc0122:simplify-pdb-reader
February 25, 2025 11:44 16s
updated correlation section
Lint #150: Commit e19ae19 pushed by ChiCheng45
February 25, 2025 11:26 18s chi/documentation-cleanup
February 25, 2025 11:26 18s
Lint
Lint #149: Scheduled
February 25, 2025 01:11 20s protos
February 25, 2025 01:11 20s
Save Q vectors in the output file
Lint #148: Pull request #634 synchronize by MBartkowiakSTFC
February 24, 2025 17:38 18s maciej/qvector-npt-smearing
February 24, 2025 17:38 18s
Visualise atom trace
Lint #143: Pull request #657 synchronize by MBartkowiakSTFC
February 24, 2025 14:14 33s maciej/reactivate-atom-trace
February 24, 2025 14:14 33s
February 24, 2025 13:52 18s
February 24, 2025 13:52 17s
Use pytest for test_analysis and fix test
Lint #139: Pull request #678 synchronize by oerc0122
February 24, 2025 12:25 3m 59s oerc0122:pytestise-test-analysis
February 24, 2025 12:25 3m 59s
applied ruff
Lint #137: Commit 9a5c057 pushed by ChiCheng45
February 24, 2025 11:50 2m 5s chi/cp2k-optional-vel-file
February 24, 2025 11:50 2m 5s
Rob/mdanse trajectory filter
Lint #136: Pull request #615 synchronize by RobBuchananCompPhys
February 24, 2025 11:48 19s rob/mdanse-trajectory-filter
February 24, 2025 11:48 19s
ruff format
Lint #135: Commit de9ef46 pushed by RobBuchananCompPhys
February 24, 2025 11:48 22s rob/mdanse-trajectory-filter
February 24, 2025 11:48 22s
fixed cp2k force file closing
Lint #133: Commit 593fac8 pushed by ChiCheng45
February 24, 2025 11:18 12m 35s chi/cp2k-optional-vel-file
February 24, 2025 11:18 12m 35s
Run ruff format (#666)
Lint #132: Commit 128b78b pushed by oerc0122
February 24, 2025 11:15 14m 35s protos
February 24, 2025 11:15 14m 35s
Rob/mdanse trajectory filter
Lint #131: Pull request #615 synchronize by RobBuchananCompPhys
February 24, 2025 11:14 46s rob/mdanse-trajectory-filter
February 24, 2025 11:14 46s
black
Lint #130: Commit ab22f91 pushed by RobBuchananCompPhys
February 24, 2025 11:14 37s rob/mdanse-trajectory-filter
February 24, 2025 11:14 37s