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af8c091ed5
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add image to the cover page of the PDF version of the manual
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2023-01-21 15:58:10 -05:00 |
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ebe234d4e2
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turn off automatic potential download for github actions
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2023-01-21 11:33:33 -05:00 |
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a95f6d7aa0
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update header
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2023-01-21 11:19:04 -05:00 |
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7eab385bb3
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add CMake option to skip automatic download of large potential files
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2023-01-21 11:18:51 -05:00 |
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671b2b80fc
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fix typo
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2023-01-21 07:59:09 -05:00 |
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d5a8674c00
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avoid creating __pycache__ folders outside of the docenv tree
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2023-01-21 05:02:09 -05:00 |
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49b354bb6a
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small update for Installation overview
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2023-01-21 04:24:04 -05:00 |
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c3b1c661a8
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small tweaks to the "breadcrumbs" part of the theme to avoid double inserting a separation character
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2023-01-21 04:18:24 -05:00 |
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3f34f54847
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add page about portability
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2023-01-20 23:40:41 -05:00 |
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03b532db4a
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add false positive
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2023-01-20 22:53:29 -05:00 |
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ca1a8eb933
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clarify, mention versionadd/changed markers
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2023-01-20 22:50:39 -05:00 |
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aab02da72d
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remove obsolete links, links to point back to the manual, updates
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2023-01-20 22:50:18 -05:00 |
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29689d6902
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some more updates for LAMMPS features
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2023-01-20 22:49:44 -05:00 |
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e2773ea3d2
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some updates
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2023-01-20 22:48:36 -05:00 |
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a6667f1b2c
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Minor tweaks to potentials
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2023-01-20 18:45:19 -07:00 |
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7ce59e775a
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Minor tweaks to potentials
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2023-01-20 18:43:36 -07:00 |
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3911f1e3ec
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Resolved merge conflict
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2023-01-20 18:01:47 -07:00 |
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cf033780cc
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add false positive
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2023-01-20 19:15:20 -05:00 |
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02ab9bc67c
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add deprecation handler for removed/renamed minimizer styles
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2023-01-20 19:05:50 -05:00 |
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fd48702797
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update some overview doc pages
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2023-01-20 19:05:13 -05:00 |
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ef692258b4
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Merge pull request #3532 from stanmoore1/kk_occupancy
Update Kokkos version in LAMMPS to 3.7.1
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2023-01-20 17:52:05 -05:00 |
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dfe3436e9c
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Merge pull request #3602 from akohlmey/collected-small-changes
Collected small changes and fixes
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2023-01-20 15:03:46 -05:00 |
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6477b19702
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Backport kokkos 4dab4e0 from @weinbe2
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2023-01-20 11:12:09 -07:00 |
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4ee8cd8bf5
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fix broken Lepton library compilation for traditional make build system
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2023-01-20 12:13:31 -05:00 |
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7ff98c6374
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add one case to code maintainers list
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2023-01-20 11:45:38 -05:00 |
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996b542ea1
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remove '.'
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2023-01-20 10:37:09 -05:00 |
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936ef7f92a
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Backport more Kokkos changes
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2023-01-20 07:40:52 -07:00 |
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13d4344999
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Merge branch 'develop' of github.com:lammps/lammps into kk_occupancy
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2023-01-20 07:32:46 -07:00 |
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3e032c6b73
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remove unused private class members
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2023-01-20 07:04:37 -05:00 |
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827d0218db
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avoid that print_mode is uninitialized when called from TAD calculation
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2023-01-19 23:56:10 -05:00 |
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cf8414d2e4
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cannot test PYTHON package if it is not installed
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2023-01-19 21:00:54 -05:00 |
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31024f4b0e
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swap constexpr back to const
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2023-01-19 18:16:14 -05:00 |
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819ab9f2ff
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portability improvements for Solaris/OpenIndiana
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2023-01-19 17:36:02 -05:00 |
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75bd5b3d99
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update podstruct initializer lists with SNAP default parameters
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2023-01-18 22:56:43 -05:00 |
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8f2c3cfda9
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improve error messages for group command and more unit tests
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2023-01-18 16:06:02 -05:00 |
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62d5ffd5c9
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add versionadded not to fix reaxff/species delete keyword
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2023-01-18 16:06:01 -05:00 |
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79cadef4ba
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Re-running CMake is now automatic for almost anybody.
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2023-01-18 16:06:01 -05:00 |
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0fd665c6f3
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reformat
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2023-01-16 21:39:07 -05:00 |
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9ee9508365
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Merge branch 'develop' of github.com:srtee/lammps into collected-small-changes
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2023-01-16 21:37:32 -05:00 |
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e8be2dfba8
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Merge branch 'develop' into collected-small-changes
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2023-01-16 21:37:24 -05:00 |
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f8cbc777ce
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minor typo and rewording
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2023-01-17 11:04:34 +10:00 |
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0a5f97c327
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Merge pull request #3596 from tomswinburne/energy_spacing_neb
NEB routine to target equal energy difference between knots
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2023-01-16 14:20:43 -05:00 |
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503c51c070
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whitespace
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2023-01-16 08:37:52 -05:00 |
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a8d0f94a5a
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small clean up
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2023-01-16 14:21:31 +01:00 |
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07da78dfe8
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Documentation update after suggestions of @athomps
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2023-01-16 14:12:52 +01:00 |
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637e12cd01
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correct sphinx command
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2023-01-15 17:41:27 -05:00 |
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a09540eb55
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update embedded docs
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2023-01-15 10:57:00 -05:00 |
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e1a8a70a6c
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replace individual *verbose* / *terse* keywords with *verbosity* setting
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2023-01-14 07:06:26 -05:00 |
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102934565e
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Merge branch 'develop' into energy_spacing_neb
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2023-01-14 06:57:48 -05:00 |
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24fec6bdbd
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Merge pull request #3592 from akohlmey/collected-small-changes
Collected small changes and fixes for the next patch release
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2023-01-14 00:44:48 -05:00 |
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