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adjustments
Tests and validation #783: Commit 86c4ff0 pushed by Ragzouken
September 26, 2024 12:37 4m 45s feature/omni-docstring-improvements
September 26, 2024 12:37 4m 45s
test right thing + do reset dynamics each loop for ase_omm for now
Tests and validation #782: Commit f9c2385 pushed by Ragzouken
September 26, 2024 11:36 4m 40s feature/non-omm-ase
September 26, 2024 11:36 4m 40s
typing
Tests and validation #781: Commit 174b590 pushed by Ragzouken
September 26, 2024 11:02 3m 31s feature/non-omm-ase
September 26, 2024 11:02 3m 31s
lint
Tests and validation #780: Commit 75626b0 pushed by Ragzouken
September 26, 2024 10:57 3m 30s feature/non-omm-ase
September 26, 2024 10:57 3m 30s
fixes + make basic_example work
Tests and validation #779: Commit b9ccada pushed by Ragzouken
September 26, 2024 10:55 3m 31s feature/non-omm-ase
September 26, 2024 10:55 3m 31s
cleanup
Tests and validation #778: Commit 7af6611 pushed by Ragzouken
September 25, 2024 15:48 3m 42s feature/non-omm-ase
September 25, 2024 15:48 3m 42s
towards non-omm ase
Tests and validation #777: Commit 318ae0c pushed by Ragzouken
September 25, 2024 15:45 3m 45s feature/non-omm-ase
September 25, 2024 15:45 3m 45s
improve docstrings
Tests and validation #776: Commit 92810d7 pushed by Ragzouken
September 25, 2024 13:55 5m 1s feature/omni-docstring-improvements
September 25, 2024 13:55 5m 1s
improve docstrings
Tests and validation #775: Commit fc90817 pushed by Ragzouken
September 25, 2024 13:54 5m 2s feature/omni-docstring-improvements
September 25, 2024 13:54 5m 2s
improve docstrings
Tests and validation #774: Commit 43026d3 pushed by Ragzouken
September 25, 2024 11:35 5m 10s feature/omni-docstring-improvements
September 25, 2024 11:35 5m 10s
update imd server diagram
Tests and validation #773: Commit 4f423db pushed by Ragzouken
September 25, 2024 11:06 4m 40s fix/update-diagrams
September 25, 2024 11:06 4m 40s
update client server diagram
Tests and validation #772: Commit 5e06204 pushed by Ragzouken
September 25, 2024 10:51 4m 49s fix/update-diagrams
September 25, 2024 10:51 4m 49s
update ase diagram
Tests and validation #771: Commit 632b4b1 pushed by Ragzouken
September 25, 2024 10:40 4m 40s fix/update-diagrams
September 25, 2024 10:40 4m 40s
include source file
Tests and validation #770: Commit 5263fd8 pushed by Ragzouken
September 19, 2024 12:21 4m 52s fix/update-diagrams
September 19, 2024 12:21 4m 52s
update frame data diagram
Tests and validation #769: Commit 6f869b1 pushed by Ragzouken
September 19, 2024 12:19 4m 58s fix/update-diagrams
September 19, 2024 12:19 4m 58s
Rephrase docstrings and comments in terms of previous- and on-step co…
Tests and validation #768: Commit 3b464db pushed by hjstroud
September 2, 2024 12:31 4m 50s openmm/calculate-work-done
September 2, 2024 12:31 4m 50s
Fix docstrings error
Tests and validation #767: Commit 998591f pushed by hjstroud
September 2, 2024 12:16 4m 43s openmm/calculate-work-done
September 2, 2024 12:16 4m 43s
Change type of work_done to float
Tests and validation #766: Commit 54f23b0 pushed by hjstroud
September 2, 2024 12:08 3m 40s openmm/calculate-work-done
September 2, 2024 12:08 3m 40s
Define function to calculate and add work contribution
Tests and validation #765: Commit e8d4aea pushed by hjstroud
September 2, 2024 11:31 4m 42s openmm/calculate-work-done
September 2, 2024 11:31 4m 42s
Add a notebook explaining recording and replaying in NanoVer (#238)
Tests and validation #764: Commit 4dbd1ff pushed by hjstroud
August 30, 2024 15:11 4m 53s main
August 30, 2024 15:11 4m 53s
Alter sentence to include playback
Tests and validation #763: Commit 4e02304 pushed by hjstroud
August 30, 2024 10:42 4m 33s examples/add-recording-notebook
August 30, 2024 10:42 4m 33s
Apply suggestions from code review
Tests and validation #761: Commit e936c6a pushed by hjstroud
August 30, 2024 10:37 4m 42s examples/add-recording-notebook
August 30, 2024 10:37 4m 42s
Add .load() line for polyalanine simulation to fix DCD issue (#240)
Tests and validation #760: Commit 644bc0b pushed by hjstroud
August 30, 2024 10:36 4m 44s main
August 30, 2024 10:36 4m 44s
Add .load() line for polyalanine simulation to fix DCD issue
Tests and validation #759: Commit 4c45823 pushed by hjstroud
August 29, 2024 15:20 4m 44s examples/fix-openmm-dcd
August 29, 2024 15:20 4m 44s