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1352257cf4
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Use modern C++ code pattern to build c-style argument list
This was suggested by GitHub Copilot
Co-authored-by: Copilot <175728472+Copilot@users.noreply.github.com>
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2025-04-23 05:51:53 -04:00 |
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6629ecff2d
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implement function to add request for single occasional neighbor list
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2025-04-22 21:44:45 -04:00 |
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9e9caf7d14
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dummy implementation of single neighbor list build
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2025-04-22 16:02:51 -04:00 |
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dbe98e2cfb
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update embedded JSON class to version 3.12.0
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2025-04-22 10:37:29 -04:00 |
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0ff17967b0
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Merge branch 'fix_omp_detection' of github.com:rbberger/lammps into collected-small-fixes
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2025-04-20 10:37:04 -04:00 |
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4e69046e54
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cmake: fix omp.h detection
CMAKE_REQUIRED_LINK_OPTIONS needs to be a ;-separated list.
See https://cmake.org/cmake/help/latest/module/CheckIncludeFileCXX.html.
Fixes OpenMP detection with AppleClang when libomp is manually provided.
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2025-04-20 00:40:24 -06:00 |
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c088ce2f51
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fix typo
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2025-04-19 11:05:52 -04:00 |
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699e5bee07
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Merge branch 'fix_cmake_list' of github.com:alinelena/lammps into collected-small-fixes
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2025-04-19 11:02:45 -04:00 |
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bd427ecf7a
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do not make CMAKE_CXX_FLAGS a list of springs, ends up adding ; to the flags breaking compilation
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2025-04-19 08:57:54 +01:00 |
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9a08f7b23b
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add test for indented output
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2025-04-17 16:26:03 -04:00 |
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6e2d7f48d7
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alternate approach to include header from thirdparty dir
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2025-04-17 14:10:03 -04:00 |
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51aa87d4ce
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Merge remote-tracking branch 'github/develop' into collected-small-fixes
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2025-04-17 13:58:14 -04:00 |
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7ca493917a
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Merge pull request #4542 from akohlmey/add-json-lib
Integrate header-only JSON library
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2025-04-17 13:56:16 -04:00 |
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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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27d8e103eb
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move json.hpp class to thirdparty folder and add wrapper for use with LAMMPS
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2025-04-16 15:54:59 -04:00 |
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a9fe42bea4
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fix bug reported in issue #4551
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2025-04-16 06:21:11 -04:00 |
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4553108035
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add minimal unit test for JSON class
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2025-04-15 22:11:44 -04:00 |
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c4c76dd96c
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catch JSON library exceptions
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2025-04-15 21:31:03 -04:00 |
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b131659a43
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modify include guard and namespace to avoid clashes with the original version
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2025-04-15 21:31:03 -04:00 |
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d2d7248e3a
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import original version 3.11.3 files
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2025-04-15 21:31:03 -04:00 |
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689b542da6
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make minimize work with KOKKOS package without -suffix or suffix command
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2025-04-14 10:59:54 -04:00 |
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b081d289c1
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Merge pull request #4546 from akohlmey/lammps-gui-enhancements
LAMMPS-GUI enhancements
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2025-04-14 10:49:54 -04:00 |
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0b0383bc64
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Merge pull request #4548 from jrgissing/bond/react-create+rate_limit_bugfix
bond/react: refactor reaction counting
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2025-04-14 09:38:10 -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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0bab80a26e
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not much use for editing x axis label. better give more space to other options
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2025-04-13 19:33:07 -04:00 |
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f181ca6aec
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support setting graph colors in preferences
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2025-04-13 16:56:21 -04:00 |
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1eb61936ab
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refactor reaction counting
previously, the rate_limit keyword did not work when also creating atoms
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2025-04-13 12:56:01 -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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bb09088731
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add new tab to preferences for charts window settings
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2025-04-12 11:49:41 -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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d0c3564216
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update TODO list
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2025-04-12 00:53:45 -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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3aa3d45a9f
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Merge pull request #4532 from akohlmey/collected-small-fixes
Collected small fixes and changes
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2025-04-11 21:02:02 -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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3810be6c8b
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correct / clarify embedded docs
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2025-04-11 14:04:27 -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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dfc10e5b59
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small improvements of molecule visualization.
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2025-04-10 08:56:57 -04:00 |
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bc031bdd7a
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initial attempt to allow viewing molecules.
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2025-04-10 08:23:04 -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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980bf70310
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improve error messages
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2025-04-10 05:00:41 -04:00 |
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227b4ed12d
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remove unused class members and plug memory leaks
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2025-04-10 04:39:56 -04:00 |
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32592e6660
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add feature idea for LAMMPS-GUI
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2025-04-10 01:13:44 -04:00 |
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2f861b83d7
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correct embedded documentation
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2025-04-10 00:01:40 -04:00 |
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