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updated default mdps
Multi-eGO test #513: Commit 2cada7c pushed by carlocamilloni
December 10, 2024 15:23 15m 56s main
December 10, 2024 15:23 15m 56s
update_testing: avoid copying everything
Multi-eGO test #512: Commit 2596f02 pushed by carlocamilloni
December 10, 2024 15:14 15m 52s main
December 10, 2024 15:14 15m 52s
remove prior interactions
Multi-eGO test #511: Commit aaa95c4 pushed by carlocamilloni
December 10, 2024 09:49 15m 58s main
December 10, 2024 09:49 15m 58s
fix for reweighting of intermolecular contacts
Multi-eGO test #510: Commit eb6cae8 pushed by carlocamilloni
December 10, 2024 08:34 17m 8s main
December 10, 2024 08:34 17m 8s
black
Multi-eGO test #509: Commit 77145ec pushed by carlocamilloni
December 9, 2024 22:47 16m 54s main
December 9, 2024 22:47 16m 54s
Merge pull request #507 from carlocamilloni/main
Multi-eGO test #508: Commit a43c5ee pushed by carlocamilloni
December 9, 2024 22:32 12m 59s main
December 9, 2024 22:32 12m 59s
better sorting for IO
Multi-eGO test #507: Commit d5058ce pushed by carlocamilloni
December 9, 2024 22:29 12m 41s main
December 9, 2024 22:29 12m 41s
updated the associated regtest
Multi-eGO test #506: Commit 2c751da pushed by carlocamilloni
December 9, 2024 20:10 12m 3s main
December 9, 2024 20:10 12m 3s
further fix to account for the window of two excluded AA neighbor in …
Multi-eGO test #505: Commit 34891d1 pushed by carlocamilloni
December 9, 2024 14:20 12m 0s main
December 9, 2024 14:20 12m 0s
fix for pairs in MG prior and beginning of implemetation of fix
Multi-eGO test #504: Commit 1e2ddef pushed by carlocamilloni
December 9, 2024 12:08 16m 0s main
December 9, 2024 12:08 16m 0s
updated
Multi-eGO test #503: Commit 118b0a1 pushed by carlocamilloni
December 7, 2024 18:29 15m 56s main
December 7, 2024 18:29 15m 56s
Merge pull request #502 from multi-ego/mglob_prior
Multi-eGO test #502: Commit 2bf68cb pushed by carlocamilloni
December 7, 2024 18:15 15m 47s main
December 7, 2024 18:15 15m 47s
cleaned rc and updated regtests
Multi-eGO test #501: Commit ae27191 pushed by carlocamilloni
December 7, 2024 18:00 15m 59s mglob_prior
December 7, 2024 18:00 15m 59s
removed not needed folders
Multi-eGO test #500: Commit 32239b4 pushed by carlocamilloni
December 7, 2024 16:43 14m 18s mglob_prior
December 7, 2024 16:43 14m 18s
Merge branch 'main' into mglob_prior
Multi-eGO test #499: Commit c5427db pushed by carlocamilloni
December 7, 2024 11:26 13m 38s mglob_prior
December 7, 2024 11:26 13m 38s
as before
Multi-eGO test #498: Commit 3c89a5b pushed by carlocamilloni
December 7, 2024 11:13 16m 27s main
December 7, 2024 11:13 16m 27s
improved managemnt of defaults interactions
Multi-eGO test #497: Commit c009760 pushed by carlocamilloni
December 6, 2024 01:10 13m 41s mglob_prior
December 6, 2024 01:10 13m 41s
fix mglob_prior for multiple species
Multi-eGO test #496: Commit 5c0149f pushed by carlocamilloni
December 6, 2024 00:02 14m 15s mglob_prior
December 6, 2024 00:02 14m 15s
Merge branch 'main' into mglob_prior
Multi-eGO test #495: Commit 682b59e pushed by carlocamilloni
December 5, 2024 23:40 12m 51s mglob_prior
December 5, 2024 23:40 12m 51s
removed unused folder
Multi-eGO test #494: Commit 86cfab5 pushed by carlocamilloni
December 5, 2024 23:20 15m 34s main
December 5, 2024 23:20 15m 34s
fix again
Multi-eGO test #493: Commit 5fbf563 pushed by carlocamilloni
December 5, 2024 23:17 15m 26s main
December 5, 2024 23:17 15m 26s
fixed test
Multi-eGO test #492: Commit 3fecfb1 pushed by carlocamilloni
December 5, 2024 23:13 3m 36s main
December 5, 2024 23:13 3m 36s
het_trim test case
Multi-eGO test #491: Commit 0d94fd3 pushed by carlocamilloni
December 5, 2024 23:10 4m 14s main
December 5, 2024 23:10 4m 14s
more flake8
Multi-eGO test #490: Commit f55b462 pushed by carlocamilloni
December 5, 2024 21:32 15m 47s main
December 5, 2024 21:32 15m 47s
make_mat:
Multi-eGO test #489: Commit 1505871 pushed by carlocamilloni
December 5, 2024 21:12 12m 51s main
December 5, 2024 21:12 12m 51s