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469846e73c
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correct broken doc line
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2025-06-22 07:22:36 -04:00 |
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c118af34e0
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small doc update
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2025-06-21 17:58:49 -04:00 |
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e3b1d27e0a
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whitespace
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2025-06-21 14:34:01 -04:00 |
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fc9efa1586
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update documentation for the recently added sections in JSON format molecule files
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2025-06-21 13:48:11 -04:00 |
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67582ebf14
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some error hint updates based on recent discussions on MatSci.org
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2025-06-20 17:45:37 -04:00 |
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fb088cdc57
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require .json extension for JSON format molecule files
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2025-06-20 14:12:00 -04:00 |
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18455d07fe
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list possible pair styles with SPC Howto. Add comment about cutof vs. long-range coulomb
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2025-06-20 04:24:13 -04:00 |
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632bc8f20d
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Removed line apparently copied from compute displace/atom
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2025-06-17 14:56:43 +02:00 |
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9a81c95104
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document unchanging group size restriction in compute msd
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2025-06-17 06:02:43 -04:00 |
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53fec5563c
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Merge pull request #4543 from d-immel/apip
adaptive-precision interatomic potentials (APIP)
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2025-06-16 15:56:12 -04:00 |
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6004a58ab4
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fix spelling issues
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2025-06-14 17:59:01 -04:00 |
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2d5f02a398
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add lammps_add_molecule API to the C-library interface and python/fortran module
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2025-06-14 12:46:36 -04:00 |
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848ef74459
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download sphinx_toolbox extension and enable "collaps" directive
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2025-06-14 06:04:54 -04:00 |
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1ba1b7111d
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Merge branch 'develop' into apip
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2025-06-13 08:42:29 -04:00 |
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ee165e72de
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minor changes of APIP doc page
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2025-06-13 12:15:03 +02:00 |
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336bb4622d
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add a few missing version tags
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2025-06-13 00:08:05 -04:00 |
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380ad17cf3
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Merge branch 'develop' into next_release
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2025-06-13 00:01:50 -04:00 |
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949bac6b4a
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Merge pull request #4614 from akohlmey/collected-small-fixes
Collected small changes and fixes
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2025-06-12 23:59:06 -04:00 |
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4865235998
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small doc tweaks and update for the simplified installation
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2025-06-12 22:49:38 -04:00 |
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6df845a8d8
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Merge remote-tracking branch 'github/develop' into apip
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2025-06-12 22:27:03 -04:00 |
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550048f458
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Merge branch 'develop' into molecule-refactor-for-json
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2025-06-12 21:21:38 -04:00 |
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f9de296ed1
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make "coords" optional and infer natoms from "types" instead
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2025-06-12 21:19:32 -04:00 |
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a9c5d095e4
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Merge pull request #4621 from akohlmey/plugin-add-run-min-style
Add support for run and minimize style plugins and refactor plugin handling to become global
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2025-06-12 20:35:15 -04:00 |
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9b195d2109
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Merge branch 'develop' into molecule-refactor-for-json
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2025-06-12 14:23:32 -04:00 |
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db835d1ec5
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add false positive
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2025-06-12 14:23:25 -04:00 |
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ed1d49cc16
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Merge branch 'python-wrapper-doc' of github.com:lammps/lammps into python-wrapper-doc
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2025-06-12 11:48:45 -04:00 |
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db22bdc7b9
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rewrap doc source
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2025-06-12 11:48:37 -04:00 |
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674500781f
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add minimal documentation for the JSON molecule file format
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2025-06-12 11:20:02 -04:00 |
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dd30b5a258
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add tool to regularize/reformat/reindent JSON files
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2025-06-12 11:19:16 -04:00 |
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2eed658d85
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Corrected what I think is a typo
There is no way to evaluate a variable with iv_ prefix.
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2025-06-12 15:57:59 +02:00 |
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1db87d827d
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documentation updates for JSON format in general and molecule files in particular
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2025-06-12 07:49:20 -04:00 |
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768d5bb9c1
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address small PDF formatting issue
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2025-06-11 10:56:04 -04:00 |
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c4e062f2d8
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Merge branch 'develop' into molecule-refactor-for-json
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2025-06-11 08:40:48 -04:00 |
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6ccb1b745c
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remove debug code, move to toplevel dir and document kspace style zero
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2025-06-11 04:24:35 -04:00 |
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0fd7a40d92
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update documentation for writing plugins
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2025-06-11 03:40:33 -04:00 |
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30cc2570ad
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Merge branch 'develop' into plugin-add-run-min-style
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2025-06-11 03:24:04 -04:00 |
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df08818fef
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refactor handling of plugin loading to make plugin a global property
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2025-06-11 02:52:28 -04:00 |
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464b9f4b03
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add support for loading run and min styles
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2025-06-11 00:33:44 -04:00 |
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8d11f16e16
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Insert pre-titlepage text asking about removal of PDF version.
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2025-06-10 19:27:01 -04:00 |
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8ae5b16d66
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use consistent markup
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2025-06-10 18:18:50 -04:00 |
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c8cd692bbd
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more doc page tweaks
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2025-06-10 15:25:15 -06:00 |
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1f57be8255
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another tweak
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2025-06-09 16:50:43 -06:00 |
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7a7ec8083f
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edits of 2 doc pages
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2025-06-09 16:38:42 -06:00 |
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c7fd0817e2
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Merge branch 'develop' into collected-small-fixes
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2025-06-09 00:14:23 -04:00 |
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3f685e9a44
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fix several spelling and formatting issues in added/modified documentation
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2025-06-06 12:13:02 -04:00 |
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ccc078f036
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Add apip to documentation of read_dump and compute property/atom.
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2025-06-06 14:41:52 +02:00 |
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9a65ab2c4d
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Merge branch 'develop' into apip_devel and solve merge conflict in set.
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2025-06-06 13:32:00 +02:00 |
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65debaf191
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resolve NOTES and add option to print return value to log with python invoke
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2025-06-06 02:02:04 -04:00 |
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f69d28fbab
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Merge branch 'develop' into atom-style-var-with-python
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2025-06-06 00:20:06 -04:00 |
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6c798f1847
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Update APIP naming in documentation.
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2025-06-05 20:05:37 +02:00 |
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