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290aa116f5
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Merge branch 'maintenance' of github.com:lammps/lammps into maintenance
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2025-06-27 15:00:34 -04:00 |
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bda0e59177
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backport KOKKOS fixes from upstream
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2025-06-27 14:51:39 -04:00 |
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3b07abbf5f
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make fix deposit and fix pour compatible with body particles from molecule templates
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2025-06-21 17:17:52 -04:00 |
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cf45119a70
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avoid out-of-bounds memory access when registering fix external callbacks
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2025-06-21 16:45:24 -04:00 |
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849b6fc95d
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add missing check for atom-ids
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2025-06-21 14:32:46 -04:00 |
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9ef8f8590e
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Revert "there is no need to using tagints in molecule templates"
This breaks neighbor list builds in template mode.
This reverts commit 3eae4066f3.
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2025-06-21 12:31:42 -04:00 |
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3a3ba77ced
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make python lammps_open() unit test compatible with mpi4py version 4
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2025-06-21 11:57:04 -04:00 |
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3eae4066f3
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there is no need to using tagints in molecule templates
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2025-06-21 11:49:55 -04:00 |
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eae76faa1f
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fix up special_read() function to honor atom-IDs
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2025-06-21 11:49:32 -04:00 |
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2818f86bdf
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Merge branch 'maintenance' of github.com:lammps/lammps into maintenance
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2025-06-20 23:03:17 -04:00 |
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f03fd33137
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correctly honor atom-id in Special Bond Counts section
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2025-06-20 23:03:02 -04:00 |
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0562db29cb
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stricter matching of header keywords
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2025-06-20 14:12:57 -04:00 |
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857c413572
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must require Masses section with Body sections
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2025-06-20 08:43:47 -04:00 |
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df776c0dc1
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correctly count created bodies
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2025-06-20 08:22:33 -04:00 |
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f0ffce3940
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correct error message
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2025-06-20 03:08:46 -04:00 |
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ae66910c7b
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fix indexing bugs in Shake Atoms and Shake Bond Types sections
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2025-06-18 03:40:24 -04:00 |
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6c791477ae
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fix out-of-bounds initialization for cvatom array
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2025-06-17 17:02:15 -04:00 |
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9ffa9c6eb1
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fix out-of-bounds access bug reported in issue #4632
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2025-06-17 16:42:45 -04:00 |
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5a4d659fc3
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backport fixes from upstream to make molecule command behave like documented
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2025-06-17 14:49:22 -04:00 |
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32e3c1c2df
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error out of compute msd if the number of atoms in the compute group changes
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2025-06-17 06:01:10 -04:00 |
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c7162f96f5
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update changelog
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2025-06-14 19:15:34 -04:00 |
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abdb785ca5
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update label only when needed
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2025-06-14 19:15:24 -04:00 |
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0a0850ddf8
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move redundant code to find pointer to main widget to helper function
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2025-06-14 19:15:16 -04:00 |
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59f3f52304
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Merge branch 'stable' into maintenance
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2025-06-14 18:21:10 -04:00 |
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d35cdbc074
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add error to CreateAtoms for per-atom systems
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2025-06-14 05:19:47 -04:00 |
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c64945060d
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flag branch as maintenance branch again
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2025-06-13 02:14:29 -04:00 |
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81980666de
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Merge pull request #4531 from lammps/maintenance
Third Set of Collected Bug Fixes and Maintenance Updates for 29 August 2024 Stable Release
stable_29Aug2024_update3
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2025-06-12 23:06:51 -04:00 |
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7d4757e745
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Fix GPU architecture in CUDA preset for Kokkos
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2025-06-12 19:48:54 -04:00 |
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e7bbc48097
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Revert "Insert pre-titlepage text asking about removal of PDF version."
This reverts commit 8bcb6cc9ff.
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2025-06-12 11:59:02 -04:00 |
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3454810c80
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dipole moment z-component must be zero for 2d sims
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2025-06-11 21:33:20 -04:00 |
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71ee3ea7aa
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unscale for error message. use correct array for masses
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2025-06-11 17:37:38 -04:00 |
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74b1f10bbd
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backport bugfix for segfaulting (kspace) styles from plugins from upstream
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2025-06-11 03:55:04 -04:00 |
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8bcb6cc9ff
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Insert pre-titlepage text asking about removal of PDF version.
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2025-06-10 19:52:10 -04:00 |
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32dbf9a2e9
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flag version as stable update
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2025-06-09 00:46:19 -04:00 |
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a21ade450e
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sync with upstream
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2025-06-07 21:50:16 -04:00 |
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eeaea74e71
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record changes to LAMMPS-GUI for flatpak build
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2025-06-07 21:38:04 -04:00 |
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ec3c04bb9c
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add special case for setting locale on macOS based on suggestion from OVITO developers
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2025-06-07 21:13:53 -04:00 |
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7c89fa1492
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accept denormal floating point numbers in tokenizer class and utils::numeric()
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2025-06-04 21:08:48 -04:00 |
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741a3175a6
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remove undesired tag from test yaml file
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2025-06-03 02:24:59 -04:00 |
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7cb10a480a
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sync application of LAMMPS integer size settings with upstream
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2025-06-02 23:50:00 -04:00 |
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62cfa3151c
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apply -DLAMMPS_${LAMMPS_SIZES} consistently across all platforms
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2025-06-02 20:29:59 -04:00 |
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a3a67ef3f3
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fix minimum image bug detected by GitHub Copilot
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2025-05-31 23:28:52 -04:00 |
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64d7bbb375
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Bugfix from Trung for running EAM on GPUs with OpenCL.
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2025-05-30 16:43:16 -04:00 |
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602088f60b
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Marking scalar intensive in elec/stop/fit fix
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2025-05-30 10:09:11 -04:00 |
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ff19f3406c
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silence compiler warnings
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2025-05-30 00:03:22 -04:00 |
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d7f281f494
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cstdbool header is deprecated and no longer needed with recent compilers
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2025-05-29 23:51:29 -04:00 |
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ba2ea35210
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avoid problems with consteval
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2025-05-29 23:43:30 -04:00 |
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00907af0df
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eliminate warning (doesn't change results since we don't compute pair forces)
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2025-05-29 03:51:14 -04:00 |
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ff6df29692
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update magic file and point to origin
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2025-05-29 03:50:45 -04:00 |
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29aba1d068
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improve warning and explanation about too short communication cutoff
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2025-04-30 16:47:59 -04:00 |
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