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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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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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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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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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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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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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d06bfbf180
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add missing index
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2025-04-04 03:41:22 -04:00 |
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91283d98cc
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allow to set https_proxy via preferences if not set via environment variable
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2025-04-03 22:27:57 -04:00 |
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f447a0476c
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discuss using a proxy with geturl, e.g. on a cluster compute node
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2025-04-03 18:45:14 -04:00 |
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65992f7ba2
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mention LAMMPS tutorial files download support
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2025-04-03 18:44:40 -04:00 |
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999e6d95d4
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list post_constructor methods and modernize description
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2025-04-03 13:47:53 -04:00 |
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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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