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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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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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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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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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bf97cc470f
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Temporarily remove fix neighbor/swap until implementation issues are fixed
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2025-06-05 05:19:35 -04:00 |
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acf8a51b01
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Merge branch 'develop' into molecule-refactor-for-json
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2025-06-04 19:42:03 -04:00 |
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ece4939708
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Merge branch 'develop' into fix-set-command
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2025-06-04 16:22:45 -04:00 |
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45ba47e0d0
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Set version date for next feature release
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2025-06-04 10:14:07 -04:00 |
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9941d9132c
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reformulate
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2025-06-04 00:30:10 -04:00 |
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5386dce0cf
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Update molecule.rst
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2025-06-03 20:45:02 -04:00 |
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07acf912c9
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Merge branch 'develop' into molecule-refactor-for-json
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2025-06-01 11:42:03 -04:00 |
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52f8d1d5a1
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Merge branch 'develop' into collected-small-fixes
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2025-06-01 11:41:11 -04:00 |
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17ed72f99b
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show use of Domain::minimum_image_big() in second example block
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2025-05-31 23:36:36 -04:00 |
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7780309fae
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Merge branch 'develop' into molecule-refactor-for-json
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2025-05-31 22:03:07 -04:00 |
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b05f5f8e3a
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add info about updating old source packages for minimum image API change
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2025-05-31 02:56:25 -04:00 |
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2cc7c71ebc
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add info about updating old source packages for minimum image API change
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2025-05-31 02:54:42 -04:00 |
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