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automatically open in browser when launching as a standalone script Tests and validation #908: Commit 18a17b6 pushed by Ragzouken
October 16, 2024 09:53 5m 22s python-UI
python-UI
October 16, 2024 09:53 5m 22s
Adding non-expert input files from "Flexible Docking" paper (#258) Tests and validation #907: Commit 1daeb9b pushed by ludovicaisa
October 14, 2024 11:15 5m 14s main
main
October 14, 2024 11:15 5m 14s
Add description file for the systems. Tests and validation #906: Commit ba96af9 pushed by ludovicaisa
October 14, 2024 09:51 5m 24s examples/adding_newsims
examples/adding_newsims
October 14, 2024 09:51 5m 24s
Merge pull request #266 from IRL2/fix/remove-mpi4py Tests and validation #905: Commit 60a8c71 pushed by Ragzouken
October 11, 2024 16:19 5m 26s main
main
October 11, 2024 16:19 5m 26s
Merge pull request #245 from IRL2/feature/non-omm-ase Tests and validation #904: Commit c1cc12a pushed by Ragzouken
October 11, 2024 16:17 5m 20s main
main
October 11, 2024 16:17 5m 20s
Change latest_frame to current_frame Tests and validation #903: Commit d9b8854 pushed by hjstroud
October 11, 2024 15:55 5m 23s feature/non-omm-ase
feature/non-omm-ase
October 11, 2024 15:55 5m 23s
minor fixes Tests and validation #902: Commit 40521d9 pushed by Mohamed-Dhouioui
October 11, 2024 14:48 5m 34s python-UI
python-UI
October 11, 2024 14:48 5m 34s
created a notebook explaining how to run the ui Tests and validation #901: Commit 248169c pushed by Mohamed-Dhouioui
October 11, 2024 13:58 5m 31s python-UI
python-UI
October 11, 2024 13:58 5m 31s
Change units of temp from kT to Kelvin Tests and validation #900: Commit b0b793d pushed by hjstroud
October 11, 2024 13:55 5m 30s feature/non-omm-ase
feature/non-omm-ase
October 11, 2024 13:55 5m 30s
Change position of comment Tests and validation #899: Commit 8c2e157 pushed by hjstroud
October 11, 2024 13:49 5m 25s feature/non-omm-ase
feature/non-omm-ase
October 11, 2024 13:49 5m 25s
Change notebook to use correct functions, and add minor changes to no… Tests and validation #898: Commit d9da88d pushed by hjstroud
October 11, 2024 13:47 5m 25s feature/non-omm-ase
feature/non-omm-ase
October 11, 2024 13:47 5m 25s
reformated code Tests and validation #897: Commit cd3cd4b pushed by Mohamed-Dhouioui
October 11, 2024 12:56 5m 31s python-UI
python-UI
October 11, 2024 12:56 5m 31s
remove last mpi4py references Tests and validation #896: Commit 1b87760 pushed by Ragzouken
October 11, 2024 12:49 5m 17s fix/remove-mpi4py
fix/remove-mpi4py
October 11, 2024 12:49 5m 17s
Merge pull request #264 from IRL2/fix/remove-lammps Tests and validation #895: Commit 338087f pushed by Ragzouken
October 11, 2024 11:55 5m 19s main
main
October 11, 2024 11:55 5m 19s
fix typo Tests and validation #894: Commit 19fc3f0 pushed by Mohamed-Dhouioui
October 11, 2024 11:52 5m 31s python-UI
python-UI
October 11, 2024 11:52 5m 31s
try to fix failing tests Tests and validation #893: Commit 1df9735 pushed by Mohamed-Dhouioui
October 11, 2024 11:47 5m 28s python-UI
python-UI
October 11, 2024 11:47 5m 28s
Merge pull request #242 from IRL2/fix/update-diagrams Tests and validation #892: Commit 8342750 pushed by Ragzouken
October 11, 2024 11:09 5m 19s main
main
October 11, 2024 11:09 5m 19s
fixes Tests and validation #891: Commit 631d3d8 pushed by Ragzouken
October 11, 2024 11:04 5m 24s feature/non-omm-ase
feature/non-omm-ase
October 11, 2024 11:04 5m 24s
merge main Tests and validation #890: Commit f772386 pushed by Ragzouken
October 11, 2024 11:01 5m 30s feature/non-omm-ase
feature/non-omm-ase
October 11, 2024 11:01 5m 30s
Update ASE-OpenMM tutorial notebooks (#255) Tests and validation #889: Commit 7e855f8 pushed by hjstroud
October 11, 2024 10:56 5m 21s main
main
October 11, 2024 10:56 5m 21s
Edit introductory paragraph of notebook Tests and validation #888: Commit 11cbf28 pushed by hjstroud
October 11, 2024 10:40 5m 25s examples/update-ase-notebooks
examples/update-ase-notebooks
October 11, 2024 10:40 5m 25s
Update wording of nanotube notebooks to reflect NanoVer NGLView client Tests and validation #887: Commit ac2e663 pushed by hjstroud
October 11, 2024 10:37 5m 18s examples/update-ase-notebooks
examples/update-ase-notebooks
October 11, 2024 10:37 5m 18s
Rerun notebook to update values Tests and validation #886: Commit bd587e9 pushed by hjstroud
October 11, 2024 10:11 5m 24s examples/update-ase-notebooks
examples/update-ase-notebooks
October 11, 2024 10:11 5m 24s
Add note about ASE units Tests and validation #885: Commit 9b5f879 pushed by hjstroud
October 11, 2024 10:08 5m 16s examples/update-ase-notebooks
examples/update-ase-notebooks
October 11, 2024 10:08 5m 16s
Add ASE functionality back into the nanotube notebook Tests and validation #884: Commit 12097d7 pushed by hjstroud
October 11, 2024 09:49 5m 30s examples/update-ase-notebooks
examples/update-ase-notebooks
October 11, 2024 09:49 5m 30s