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2a068b248a
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Merge pull request #4645 from akohlmey/improve-tests-for-set
Add or improve unit test programs to improve test coverage and specifically check recent additions
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2025-07-16 20:13:37 -04:00 |
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58948b71a9
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add tests for run command
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2025-07-16 17:50:15 -04:00 |
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f80b015e27
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output message of incorrect exceptions
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2025-07-16 17:50:05 -04:00 |
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d1d8a019f9
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improve error messages for run command
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2025-07-16 17:49:15 -04:00 |
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ab6de4c384
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test velocity command
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2025-07-16 14:17:32 -04:00 |
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13d3cfa2b6
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more test coverage for utils::bounds()
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2025-07-16 12:52:18 -04:00 |
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3daa0c0726
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add tests for utils::logical() and utils::*numeric()
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2025-07-16 09:54:25 -04:00 |
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b37ebc6b33
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add tests for utils::check_packages_for_style()
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2025-07-16 07:23:41 -04:00 |
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d542651d60
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consolidate redundant functionality into one function
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2025-07-16 07:15:42 -04:00 |
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a19cb93558
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add test for utils::point_to_error()
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2025-07-16 04:41:37 -04:00 |
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88cb95f2ad
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add tests for utils::print() with/without file pointer and with/without format
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2025-07-15 20:04:47 -04:00 |
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8c564460e6
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Merge branch 'develop' into improve-tests-for-set
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2025-07-15 19:32:02 -04:00 |
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351df5488f
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Merge pull request #4660 from akohlmey/remove-deprecation-warnings
Remove various deprecation and removal warnings for the stable release
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2025-07-15 14:10:28 -04:00 |
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2584db928d
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Merge pull request #4591 from VeeEM/fix-elstop-kokkos
Create kokkos version of fix electron stopping
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2025-07-15 13:48:41 -04:00 |
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d555b88cb1
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Merge pull request #4573 from ndtrung81/kokkos-vector-size
Support setting threads per atom with neigh/thread on with the KOKKOS package
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2025-07-15 12:21:30 -04:00 |
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a1f21f9ea5
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Update GNU Makefile build
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2025-07-15 09:09:53 -06:00 |
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41987dd20f
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Merge branch 'develop' of github.com:lammps/lammps into fix-elstop-kokkos
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2025-07-15 09:07:22 -06:00 |
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7335aa7046
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Add error checks to prevent unexpected behavior
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2025-07-15 09:03:28 -06:00 |
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90e59e8484
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Merge branch 'develop' of github.com:lammps/lammps into kokkos-vector-size
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2025-07-15 08:54:12 -06:00 |
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da148ac331
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Remove various deprecation and removal warnings for the stable release
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2025-07-15 07:12:42 -04:00 |
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f79dd13c9b
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Merge pull request #4655 from jmgoff/mliap_indexing
updated indexing for mliap ace and other small fixes
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2025-07-15 02:28:40 -04:00 |
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4bc3edc94d
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Merge pull request #4601 from weinbe2/feature/batch-snap-ilp
SNAP/Kokkos work batching and instruction-level parallelism optimizations
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2025-07-15 00:53:23 -04:00 |
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e6ca347b5c
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Merge branch 'feature/batch-snap-ilp' of github.com:weinbe2/lammps into feature/batch-snap-ilp
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2025-07-14 22:20:03 -06:00 |
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151b713a60
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whitespace
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2025-07-14 22:19:55 -06:00 |
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73eaa41af0
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Merge pull request #4659 from stanmoore1/kk_update_4.6.2
Update Kokkos library in LAMMPS to v4.6.2
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2025-07-14 23:46:54 -04:00 |
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4995cd372d
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Merge pull request #4657 from yotamfe/bosonic-pimd-doc
Documentation for fix pimd/*/bosonic
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2025-07-14 22:38:19 -04:00 |
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8d5c50db1f
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Merge branch 'develop' into feature/batch-snap-ilp
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2025-07-14 21:40:47 -04:00 |
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929bc35133
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Added various documentation about the *_batch values to pair_snap_kokkos.h
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2025-07-14 21:34:13 -04:00 |
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af1d4b7bf9
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Added self to contributors list (a few years late)
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2025-07-14 21:25:02 -04:00 |
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65f8f8695f
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Added documentation on initializing ulist_wrapper in evaluate_ui_jbend
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2025-07-14 21:24:17 -04:00 |
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dcdd57c130
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Merge pull request #4658 from evoyiatzis/patch-1
Improve text in compute stress/mop rst file
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2025-07-14 21:15:22 -04:00 |
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625811cc11
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Clean up an intermediate comment in compute_sna_grid_kokkos.h
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2025-07-14 21:09:22 -04:00 |
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f8124ebe4c
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Merge pull request #4615 from akohlmey/roll-back-neighbor-swap
Roll back neighbor swap changes and flag items that need fixing
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2025-07-14 20:43:13 -04:00 |
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587be04ebc
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Tuning for AMD GPUs
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2025-07-14 15:05:29 -07:00 |
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a6653a2097
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Update docs
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2025-07-14 14:16:21 -06:00 |
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e2a1e6459f
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Revert changes to Makefile
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2025-07-14 14:11:40 -06:00 |
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51383ede3d
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Update cmake
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2025-07-14 13:59:57 -06:00 |
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1a7fdf0ab2
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Update Kokkos library in LAMMPS to v4.6.2
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2025-07-14 13:53:42 -06:00 |
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37253a21e3
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Merge branch 'develop' of github.com:lammps/lammps into feature/batch-snap-ilp
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2025-07-14 13:40:37 -06:00 |
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b0ae7f8112
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Fix warning by removing parentheses
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2025-07-14 13:40:29 -06:00 |
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4ff44d2a2f
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remove whitespace
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2025-07-13 21:38:39 +02:00 |
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4112954399
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Improve text and use consistent symbols for the local stress
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2025-07-13 21:33:37 +02:00 |
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c6f788df01
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missing whitespace
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2025-07-13 20:37:11 +03:00 |
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58b367dcdd
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trailing whitespace
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2025-07-13 20:35:53 +03:00 |
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6296d5bab6
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typo
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2025-07-13 19:56:28 +03:00 |
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5382f9c645
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integrate bosonic pimd documentation removed at fcb2eee686
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2025-07-13 19:12:11 +03:00 |
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919ef6d369
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Merge branch 'develop' into mliap_indexing
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2025-07-12 06:39:13 -04:00 |
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88b56e0668
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Remove statement without effect
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2025-07-12 06:38:21 -04:00 |
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d863b4c55f
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Merge branch 'develop' into roll-back-neighbor-swap
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2025-07-11 21:03:03 -04:00 |
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d34d6b79e3
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Merge pull request #4653 from akohlmey/collected-small-changes
Collected small changes and fixes
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2025-07-11 21:01:40 -04:00 |
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