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Added ffrotations to test tools Lint #580: Commit 917453e pushed by ceriottm
September 26, 2024 11:52 30s feat/equivator
feat/equivator
September 26, 2024 11:52 30s
Linter Lint #579: Commit bd9b949 pushed by ceriottm
September 26, 2024 11:31 27s feat/equivator
feat/equivator
September 26, 2024 11:31 27s
Added new examples. Everything seems to work now Lint #578: Commit 8cef823 pushed by ceriottm
September 26, 2024 11:30 27s feat/equivator
feat/equivator
September 26, 2024 11:30 27s
GenericCell object handling non-triangular cells Lint #577: Commit 703d257 pushed by ceriottm
September 26, 2024 10:43 23s feat/equivator
feat/equivator
September 26, 2024 10:43 23s
The LJ driver now does not assume upper-triangular cell Lint #576: Commit 940de13 pushed by ceriottm
September 26, 2024 10:32 28s feat/equivator
feat/equivator
September 26, 2024 10:32 28s
Working on the cell... Lint #575: Commit 7c17f13 pushed by ceriottm
September 25, 2024 22:31 26s feat/equivator
feat/equivator
September 25, 2024 22:31 26s
Added (not tested) rotationally non-equivariant model for tip4p water Lint #574: Commit 0c7ea1a pushed by ceriottm
September 25, 2024 18:29 27s feat/equivator
feat/equivator
September 25, 2024 18:29 27s
Merge pull request #380 from i-pi/force-clone Lint #573: Commit 15f9083 pushed by ceriottm
September 25, 2024 18:29 37s main
main
September 25, 2024 18:29 37s
Added (not tested) rotationally non-equivariant model for tip4p water Lint #572: Commit 759bbc4 pushed by ceriottm
September 25, 2024 18:28 30s feat/equivator
feat/equivator
September 25, 2024 18:28 30s
Added a stub of an example, and have something that "just runs" Lint #571: Commit 6ec6983 pushed by ceriottm
September 25, 2024 13:03 27s feat/equivator
feat/equivator
September 25, 2024 13:03 27s
Added some utilities for rotational averaging Lint #570: Commit 488239d pushed by ceriottm
September 25, 2024 10:48 26s feat/equivator
feat/equivator
September 25, 2024 10:48 26s
Added functions to manipulate rotations Lint #569: Commit 1fe3102 pushed by ceriottm
September 11, 2024 08:02 31s feat/equivator
feat/equivator
September 11, 2024 08:02 31s
Added authors information for the demos Lint #568: Commit 6457699 pushed by ceriottm
June 18, 2024 22:05 30s main
main
June 18, 2024 22:05 30s
Fix aspects of interface between i-Pi and PLUMED that are not working… Lint #567: Commit 4656c96 pushed by ceriottm
June 17, 2024 09:53 32s main
main
June 17, 2024 09:53 32s
Merge pull request #349 from i-pi/gh_page_update Lint #566: Commit 59117c2 pushed by ceriottm
June 17, 2024 09:52 32s main
main
June 17, 2024 09:52 32s
Merge pull request #349 from i-pi/gh_page_update Lint #565: Commit 59117c2 pushed by ceriottm
June 15, 2024 16:46 31s master
master
June 15, 2024 16:46 31s
Add rudimentary parsing of literals to PET driver (#341) Lint #564: Commit 453fa33 pushed by ceriottm
June 5, 2024 12:59 28s master
master
June 5, 2024 12:59 28s
Merge branch 'master' into pet-sym Lint #563: Commit 8051b69 pushed by ceriottm
June 3, 2024 14:53 25s pet-sym
pet-sym
June 3, 2024 14:53 25s
Merge pull request #339 from tbegusic/demos/2D-IR-Raman-update Lint #562: Commit 2d74d4a pushed by ceriottm
June 3, 2024 14:52 46s master
master
June 3, 2024 14:52 46s
Added naive augmentation grid and naive ECSE PETs Lint #561: Commit b0e5e63 pushed by ceriottm
May 29, 2024 21:52 26s pet-sym
pet-sym
May 29, 2024 21:52 26s
Typo in running instructions Lint #560: Commit c4bec52 pushed by ceriottm
May 22, 2024 09:06 30s update-metatensor
update-metatensor
May 22, 2024 09:06 30s
Update to the latest metatensor-torch Lint #559: Commit 640b83c pushed by Luthaf
May 17, 2024 13:09 31s update-metatensor
update-metatensor
May 17, 2024 13:09 31s
Update to the latest metatensor-torch Lint #558: Commit b2e2420 pushed by Luthaf
May 16, 2024 09:52 28s update-metatensor
update-metatensor
May 16, 2024 09:52 28s
Merge branch 'master' into feat/socket_prefix Lint #557: Commit 94adf7b pushed by mahrossi
May 16, 2024 09:13 31s feat/socket_prefix
feat/socket_prefix
May 16, 2024 09:13 31s
Small typo in README Lint #556: Commit 618bef0 pushed by ceriottm
May 15, 2024 18:33 26s update-metatensor
update-metatensor
May 15, 2024 18:33 26s