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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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75c341543a
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add missing comment
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2025-06-11 04:05:41 -04:00 |
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67128a00b9
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Merge branch 'kspace_zero' into plugin-add-run-min-style
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2025-06-11 04:05:32 -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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f77be0a373
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Merge branch 'python-wrapper-doc' of github.com:lammps/lammps into python-wrapper-doc
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2025-06-10 15:25:22 -06:00 |
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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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a45561ab41
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Bufix for memory leak fix from Stan. Forgot to clear the new per-atom storage
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2025-06-10 15:19:50 -04:00 |
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319037caf6
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fix typo
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2025-06-09 20:37:30 -04:00 |
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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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2567a3d802
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Merge pull request #4581 from lammps/atom-style-var-with-python
Enable equal- and atom-style variables to invoke Python functions more directly with args
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2025-06-09 00:13:39 -04:00 |
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962f791700
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Merge pull request #4616 from jrgissing/another_reaction_count_fix
bond/react: another reaction-count bug fix
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2025-06-08 23:43:15 -04:00 |
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72080d78a7
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hide repetitive code use a macro
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2025-06-08 08:52:45 -04:00 |
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1e59400ef3
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update help table for new commands
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2025-06-07 21:41:17 -04:00 |
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e41d485377
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record changes to LAMMPS-GUI for flatpak build
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2025-06-07 21:36:41 -04:00 |
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43dbb0c089
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add special case for setting locale on macOS based on suggestion from OVITO developers
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2025-06-07 21:13:21 -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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23b185a625
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add overload to utils::print() so it can be used without FILE pointer
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2025-06-06 11:29:12 -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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84f20fe516
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must initialize pyindex[ivar] in equalstyle check
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2025-06-06 05:59:03 -04:00 |
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4cb936c3c6
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no need to allocate since we use the space of the python style variable, which is required
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2025-06-06 02:17:39 -04:00 |
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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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001fa6a024
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corrections from GitHub copilot
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2025-06-06 00:28:18 -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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1b12f3b47e
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improve error messages for python command
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2025-06-06 00:19:56 -04:00 |
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e1aa3cf7ec
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move throwing Python variable errors to PythonImpl class and change API accordingly.
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2025-06-06 00:19:33 -04:00 |
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f6f3eb1c31
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bug-fix bug fix
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2025-06-06 00:15:30 -04:00 |
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e5f0e23a11
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clang-format apip package.
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2025-06-05 20:46:32 +02:00 |
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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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20f123ddd1
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Update notation in APIP examples.
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2025-06-05 17:22:19 +02:00 |
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bc93311309
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Fix typos.
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2025-06-05 17:21:03 +02:00 |
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19a108bd21
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Add apip suffix in pair_styles lambda/input and lambda/input/csp.
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2025-06-05 15:38:38 +02:00 |
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4fcbdbe3a1
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pair_style lambda/zone -> pair_style lambda/zone/apip
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2025-06-05 15:15:06 +02:00 |
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1086db672c
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Capitalise apip in PACE class names.
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2025-06-05 15:01:51 +02:00 |
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f34284fca0
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Capitalise apip in EAM class names.
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2025-06-05 14:40:21 +02:00 |
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94d39239b5
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fix lambda -> fix lambda/apip
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2025-06-05 14:29:43 +02:00 |
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dd4afb16ad
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fix lambda_thermostat -> fix lambda_thermostat/apip
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2025-06-05 14:06:17 +02:00 |
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1d5efd05bd
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fix apip_atom_weight -> fix atom_weight/apip
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2025-06-05 13:22:13 +02:00 |
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b6a57c2480
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Add apip prefix to internal variable names.
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2025-06-05 12:44:01 +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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bd26d7a742
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Add apip names in read_dump.
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2025-06-05 11:09:35 +02:00 |
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d3f00eeff4
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Add apip names in set.
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2025-06-05 10:59:32 +02:00 |
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67d668cb62
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Add apip names in compute property/atom.
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2025-06-05 10:54:06 +02:00 |
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