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91e4cbb564
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update a couple more pending version tags
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2025-04-02 14:20:57 -04:00 |
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0043bca33d
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Merge branch 'develop' into next_release
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2025-04-02 14:11:45 -04:00 |
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cb8550465e
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Merge pull request #4507 from navlalli/qeqr
Add fix qeq/rel/reaxff
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2025-04-02 13:19:55 -04:00 |
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8df9f3404b
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Merge pull request #4467 from evoyiatzis/patch-2
extend fix adapt to treat improper angles
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2025-04-02 12:18:40 -04:00 |
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92321f4cad
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Merge pull request #4521 from stanmoore1/kk_update_4.6.0
Update Kokkos library in LAMMPS to v4.6.0
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2025-04-02 11:30:17 -04:00 |
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9f7653dd37
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Merge pull request #4519 from fxcoudert/extxyz2
Add extended XYZ dump style extxyz
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2025-04-02 10:59:18 -04:00 |
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8defe0e798
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Merge pull request #4482 from rbberger/dihedral_multi_harmonic_kokkos
add dihedral multi/harmonic/kk
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2025-04-01 21:37:51 -04:00 |
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d51017c878
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Set pending version tags to 2Apr2025
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2025-04-01 21:30:53 -04:00 |
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5bd3218372
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update version strings
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2025-04-01 21:29:59 -04:00 |
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5933eca83f
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Merge pull request #4515 from akohlmey/collected-small-fixes
Collected small fixes and updates
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2025-04-01 21:16:16 -04:00 |
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5371aa8670
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Merge pull request #4335 from jrgissing/bond/react-molmap_option
Bond/react: molmap option
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2025-04-01 21:14:19 -04:00 |
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b0ca9ed0d4
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enable lj/cubic for fix adapt
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2025-04-01 16:19:37 +02:00 |
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db8dae3300
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enable lj/gromacs for fix adapt
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2025-04-01 15:36:44 +02:00 |
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c99ae613de
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enable lj96 for fix adapt
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2025-04-01 11:34:11 +02:00 |
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bba860f959
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Update docs for KOKKOS update
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2025-03-31 12:36:40 -06:00 |
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677e8dd681
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documentation fixes
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2025-03-30 23:35:45 -04:00 |
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935e323d08
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Merge branch 'develop' into bond/react-molmap_option
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2025-03-30 23:27:50 -04:00 |
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578b1cf936
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fix typo
Co-authored-by: Shern Tee <shernren@gmail.com>
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2025-03-30 01:32:02 -04:00 |
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367dd4635b
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Merge remote-tracking branch 'github/develop' into qeqr
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2025-03-29 18:41:36 -04:00 |
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fc9d7bc181
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rename fix qeqr/reaxff to fix qeq/rel/reaxff
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2025-03-29 18:40:47 -04:00 |
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2396668965
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Merge remote-tracking branch 'github/develop' into collected-small-fixes
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2025-03-29 16:31:17 -04:00 |
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285baf27b5
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Merge pull request #4518 from akohlmey/file-formats
Add a general description of common file formats in LAMMPS
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2025-03-29 16:30:31 -04:00 |
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7ff9ee51e5
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small tweaks
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2025-03-29 15:56:34 -04:00 |
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990007c87b
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whitespace, rewrap, and comments
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2025-03-28 23:55:38 -04:00 |
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4dbf18e2c9
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small suggested changes
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2025-03-28 23:15:33 -04:00 |
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1172a8c6c8
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Merge pull request #4506 from fxcoudert/mac
Update macOS info
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2025-03-28 18:50:45 -04:00 |
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9661c21052
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comment out possible additional sections
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2025-03-28 09:56:06 -04:00 |
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c0321b5f00
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More doc
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2025-03-28 10:58:54 +01:00 |
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8949a6262d
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Use "Contact the LAMMPS developers" consistently and add an errorurl() to such errors
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2025-03-27 19:04:32 -04:00 |
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738fb4a502
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add info about restart files
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2025-03-27 16:29:13 -04:00 |
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fce3246439
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detect misformatted Sphinx directives
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2025-03-27 13:37:13 -04:00 |
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8eceb2b944
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small updates and clarifications
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2025-03-27 12:52:48 -04:00 |
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855737cf04
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implement derived extxyz dump style
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2025-03-27 14:38:33 +01:00 |
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2ad0cc1820
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document extxyz dump style
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2025-03-27 14:38:08 +01:00 |
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dd313465e1
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add support for writing one file per timestep with '*' wildcard
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2025-03-26 22:44:35 -04:00 |
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9661d020c1
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Merge branch 'develop' into collected-small-fixes
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2025-03-26 20:10:20 -04:00 |
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c45558b640
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some tweaks for local table of contents
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2025-03-26 20:09:54 -04:00 |
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2542b989ee
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small tweak
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2025-03-26 19:59:52 -04:00 |
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7f0b71f7c0
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spelling
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2025-03-26 17:36:27 -04:00 |
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637b572600
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Merge remote-tracking branch 'github/develop' into file-formats
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2025-03-26 17:33:00 -04:00 |
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dcbc3c9dbc
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whitespace
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2025-03-26 09:52:19 -04:00 |
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194b3408f7
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add section about molecule files
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2025-03-26 09:51:09 -04:00 |
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bc1b22a2f8
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finish (for now) the summary of the data file format
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2025-03-26 09:01:07 -04:00 |
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8a373ab5d8
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spelling
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2025-03-26 09:00:25 -04:00 |
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cf5d74b315
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add pair style pedone to list of pair styles compatible with fix adapt
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2025-03-26 05:54:21 -04:00 |
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d515af2e2b
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Merge branch 'develop' into library-handle-argument-errors
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2025-03-26 05:13:10 -04:00 |
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24389a55dc
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remove argument expansion since it would take only the first expanded argument only.
this is better made explicit.
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2025-03-26 04:11:51 -04:00 |
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d658c589f7
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update formulations some more
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2025-03-25 21:47:04 -04:00 |
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bc791da69e
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Merge remote-tracking branch 'github/develop' into collected-small-fixes
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2025-03-25 17:53:23 -04:00 |
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faa6e806bf
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Merge remote-tracking branch 'github/develop' into file-formats
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2025-03-25 17:53:02 -04:00 |
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