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7806244713
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Update pair_style.rst
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2025-04-17 21:09:43 +02:00 |
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e15e7f699e
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Update Commands_pair.rst
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2025-04-17 21:05:58 +02:00 |
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854e9c7a19
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Merge branch 'develop' into ILJ/CUT
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2025-04-17 18:31:59 +02:00 |
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a7760e82e1
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Merge pull request #4536 from akohlmey/remove-cmake-tune-flags
Remove CMAKE_TUNE_FLAGS
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2025-04-17 11:02:04 -04:00 |
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0f80a5c93d
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Add files via upload
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2025-04-17 14:06:57 +02:00 |
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5d9a7d154d
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address spelling and formatting issues
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2025-04-15 22:48:25 -04:00 |
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0c29a0a0c9
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changed damp_type to be a mdr damping coefficent
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2025-04-15 13:55:38 -04:00 |
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4bfdd3eb34
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Remove trailing whitespace
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2025-04-14 16:22:11 -06:00 |
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51de62ce05
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Reconcile version changes to documentation and polish
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2025-04-14 15:58:19 -06:00 |
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703750f4c8
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Merge branch 'kmc' of https://github.com/jtavenner-dev/lammps into kmc
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2025-04-14 15:57:16 -06:00 |
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a3bc1a6c0b
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Merge branch 'lammps:develop' into kmc
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2025-04-14 15:52:23 -06:00 |
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ca246a50f1
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Merge branch 'develop' of https://www.github.com/lammps/lammps into kmc
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2025-04-14 15:37:47 -06:00 |
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3a6ea0808d
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Merged changes to documentation for further user clarity
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2025-04-14 15:36:33 -06:00 |
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7be6e95647
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Rephrasing suggested by @simongravelle
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2025-04-14 06:28:29 -04:00 |
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31df721767
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update documentation
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2025-04-13 20:01:06 -04:00 |
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00673999af
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Merge remote-tracking branch 'github/develop' into lammps-gui-enhancements
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2025-04-13 05:41:26 -04:00 |
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994b7b4937
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Merge pull request #4540 from evoyiatzis/fix-adapt-dihedral
extend fix adapt to treat dihedrals
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2025-04-13 05:39:58 -04:00 |
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1ad2df84d8
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add checkbox to automatically open tutorial website, if available
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2025-04-12 06:49:44 -04:00 |
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2dd53c440e
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Add mini ToC for HowTo only and reorganize the introduction
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2025-04-12 00:47:35 -04:00 |
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ed1f4cc381
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add functionality to edit the plot title and x- and y-axis labels
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2025-04-11 23:25:56 -04:00 |
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b8e14cd0c9
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correct and rephrase one more time
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2025-04-11 14:04:33 -04:00 |
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7a40e78c7a
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Merge conflict
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2025-04-11 11:21:56 -06:00 |
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e79171c1de
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Merge branch 'develop' into rheo
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2025-04-11 11:18:53 -06:00 |
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02c627db82
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Merge branch 'collected-small-fixes' of github.com:akohlmey/lammps into collected-small-fixes
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2025-04-11 12:34:45 -04:00 |
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190ecd2666
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clarify
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2025-04-11 12:34:31 -04:00 |
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a5b83224e4
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rephrase to be less ambiguous and provide a couple more details
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2025-04-11 12:29:03 -04:00 |
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2bb9454190
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Correct style
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2025-04-10 13:15:30 -07:00 |
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43a7b14b7c
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New example structure
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2025-04-10 12:01:02 -07:00 |
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4dd8c66390
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Updated documentation
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2025-04-10 10:33:08 -07:00 |
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90797c7b62
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document that also molecules from the molecule command can be visualized
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2025-04-10 11:51:13 -04:00 |
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83c785740b
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improve phrasing
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2025-04-10 10:49:27 -04:00 |
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f2bf0d0a8b
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add optional create_atoms group keyword to add new atoms to a custom group
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2025-04-10 05:36:26 -04:00 |
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d1f452fcb6
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fix whitespace issues
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2025-04-09 17:45:54 -04:00 |
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e9695df0e8
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Provide some additional explanations for the "boost neigh_modify one" error
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2025-04-09 17:29:34 -04:00 |
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585565edb9
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corrected initialization of damp_type, error checks, doc changes, example script updates
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2025-04-08 20:33:28 -04:00 |
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586d24f5ef
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whitespace
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2025-04-07 23:02:00 -04:00 |
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7643c901eb
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cleaned mdr damping and updated velocity damping for mdr use
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2025-04-07 22:57:29 -04:00 |
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4ce473a649
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Merge branch 'lammps:develop' into fix-adapt-dihedral
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2025-04-07 19:54:18 +02:00 |
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2b38b6d1c0
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extract() implementation for dihedral class2
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2025-04-07 11:35:20 +02:00 |
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e93709d34e
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extract() implementation for dihedral helix
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2025-04-07 11:20:53 +02:00 |
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7655a4cb84
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extract() implementation for dihedral multi/harmonic
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2025-04-07 09:30:44 +02:00 |
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e956e5ccda
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extract() implementation for dihedral charmm and charmmfsw
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2025-04-07 09:24:44 +02:00 |
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55964c1233
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extract() implementation for dihedral cosine squared restricted
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2025-04-07 09:11:42 +02:00 |
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27ac8c0ea1
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extract() implementation for dihedral opls
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2025-04-07 09:05:42 +02:00 |
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cdea2737c7
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remove CMAKE_TUNE_FLAGS
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2025-04-06 07:06:20 -04:00 |
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ece0df7f7e
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Small modification of Tools.rst to include plot_forces + typo
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2025-04-06 10:37:23 +02:00 |
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30bbbafd9d
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Cleaning up MDR files
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2025-04-04 09:57:43 -06:00 |
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996faf7a94
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update documentation
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2025-04-04 17:11:30 +02:00 |
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5086c639e2
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improve docs and use dtype as parameter name to avoid confusion with type
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2025-04-04 10:41:35 -04:00 |
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f4f0a22ee1
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improve valgind suppression information and format
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2025-04-04 10:19:38 -04:00 |
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