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feat(pt): train with energy Hessian
Test Python #10263: Pull request #4169 synchronize by 1azyking
November 23, 2024 12:15 Action required 1azyking:enerhess
November 23, 2024 12:15 Action required
merge master to devel (v3.0.0)
Test Python #10262: Pull request #4410 opened by njzjz
November 23, 2024 11:08 41m 5s njzjz:master-v3.0.0
November 23, 2024 11:08 41m 5s
merge devel to master (v3.0.0) (#4407)
Test Python #10259: Commit e695a91 pushed by njzjz
November 23, 2024 07:56 1h 21m 35s master
November 23, 2024 07:56 1h 21m 35s
merge devel to master (v3.0.0)
Test Python #10258: Pull request #4407 opened by njzjz
November 23, 2024 06:46 1h 5m 31s njzjz:devel-3.0.0
November 23, 2024 06:46 1h 5m 31s
fix(pt): optimize createNlistTensor (#4403)
Test Python #10257: Commit 2303ff0 pushed by github-merge-queue bot
November 23, 2024 06:39 52m 14s devel
November 23, 2024 06:39 52m 14s
fix: add numb_fparam & numb_aparam to dipole & polar fitting (#4405)
Test Python #10256: Commit 2ce3276 pushed by github-merge-queue bot
November 23, 2024 04:49 44m 46s devel
November 23, 2024 04:49 44m 46s
fix(pt): use eval mode in the Python interface (#4404)
Test Python #10255: Commit d38c398 pushed by github-merge-queue bot
November 23, 2024 04:35 14m 46s devel
November 23, 2024 04:35 14m 46s
Test Python
Test Python #10254: Merge group checks requested
November 23, 2024 04:04 52m 40s
November 23, 2024 04:04 52m 40s
fix(pt/dp): make strip more efficient (#4400)
Test Python #10253: Commit 5d589da pushed by github-merge-queue bot
November 23, 2024 02:46 1h 0m 4s devel
November 23, 2024 02:46 1h 0m 4s
Test Python
Test Python #10252: Merge group checks requested
November 23, 2024 00:42 2h 28m 17s
November 23, 2024 00:42 2h 28m 17s
Test Python
Test Python #10251: Merge group checks requested
November 23, 2024 00:41 2h 29m 4s
November 23, 2024 00:41 2h 29m 4s
Test Python
Test Python #10250: Merge group checks requested
November 23, 2024 00:38 2h 9m 26s
November 23, 2024 00:38 2h 9m 26s
Test Python
Test Python #10249: Merge group checks requested
November 23, 2024 00:32 2h 13m 57s
November 23, 2024 00:32 2h 13m 57s
Test Python
Test Python #10248: Merge group checks requested
November 23, 2024 00:32 2h 14m 22s
November 23, 2024 00:32 2h 14m 22s
chore: use xp.take_along_axis if Array API version >=2024.12
Test Python #10247: Pull request #4406 opened by njzjz
November 22, 2024 23:43 43m 39s njzjz:xp-take-along-axis
November 22, 2024 23:43 43m 39s
fix: add numb_fparam & numb_aparam to dipole & polar fitting
Test Python #10246: Pull request #4405 synchronize by njzjz
November 22, 2024 21:28 41m 28s njzjz:dipole-polar-fparam-aparam
November 22, 2024 21:28 41m 28s
fix(pt): use eval mode in the Python interface
Test Python #10244: Pull request #4404 opened by njzjz
November 22, 2024 19:37 55m 1s njzjz:pt-py-eval
November 22, 2024 19:37 55m 1s
fix(pt): use eval mode in the C++ interface
Test Python #10243: Pull request #4402 synchronize by njzjz
November 22, 2024 19:18 45m 37s njzjz:pt-cxx-eval
November 22, 2024 19:18 45m 37s
fix(pt): use eval mode in the C++ interface
Test Python #10242: Pull request #4402 synchronize by pre-commit-ci bot
November 22, 2024 18:59 19m 10s njzjz:pt-cxx-eval
November 22, 2024 18:59 19m 10s
fix(pt): use eval mode in the C++ interface
Test Python #10241: Pull request #4402 synchronize by njzjz
November 22, 2024 18:58 1m 59s njzjz:pt-cxx-eval
November 22, 2024 18:58 1m 59s
Fix: always output weighted average error (#4401)
Test Python #10240: Commit 7bd2e5a pushed by github-merge-queue bot
November 22, 2024 11:44 42m 38s devel
November 22, 2024 11:44 42m 38s
Test Python
Test Python #10239: Merge group checks requested
November 22, 2024 09:42 1h 3m 6s
November 22, 2024 09:42 1h 3m 6s