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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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8adc2d3391
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Update pair_lj_improved_cut.cpp
Corrected energy calculation for r-RESPA
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2025-04-18 13:48:10 +02:00 |
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95a0c0a69a
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add another small optimization
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2025-04-18 07:31:39 -04:00 |
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f385633f97
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Update pair_lj_improved_cut.cpp
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2025-04-18 12:32:57 +02:00 |
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a59a2e4dba
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address multiple issues with formatting, references, non-ASCII characters, spelling
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2025-04-18 00:48:28 -04:00 |
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0895b77a93
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replace slow pow(x,2.0) with square(x) and cache repeatedly used pow() calls
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2025-04-18 00:36:24 -04:00 |
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71da769b11
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add force style test
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2025-04-18 00:35:01 -04:00 |
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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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bd34c5f315
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Update .gitignore
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2025-04-17 22:14:38 +02:00 |
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18dca0eeb1
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Update pair_lj_improved_cut.rst
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2025-04-17 21:58:50 +02:00 |
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942e77d976
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Update and rename pair_ilj_cut.rst to pair_lj_improved_cut.rst
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2025-04-17 21:57:18 +02:00 |
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25fd039457
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Add files via upload
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2025-04-17 21:52:52 +02:00 |
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96f7dc79cc
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Delete src/EXTRA-PAIR/pair_ilj_cut.h
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2025-04-17 21:51:48 +02:00 |
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8ef9759856
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Delete src/EXTRA-PAIR/pair_ilj_cut.cpp
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2025-04-17 21:51:33 +02:00 |
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e1e87cc9ef
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Fixing indexing error in fix rheo arg parsing
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2025-04-17 13:49:36 -06:00 |
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e7a8cc6646
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Update .gitignore
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2025-04-17 21:29:30 +02:00 |
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80361d0bd6
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Merge branch 'lammps:develop' into lj/improved/cut
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2025-04-17 21:25:20 +02:00 |
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7806244713
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Update pair_style.rst
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2025-04-17 21:09:43 +02:00 |
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e15e7f699e
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Update Commands_pair.rst
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2025-04-17 21:05:58 +02:00 |
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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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5938dee2d9
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Delete doc/pair_ilj_cut.html
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2025-04-17 18:44:31 +02:00 |
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854e9c7a19
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Merge branch 'develop' into ILJ/CUT
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2025-04-17 18:31:59 +02:00 |
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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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0f80a5c93d
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Add files via upload
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2025-04-17 14:06:57 +02:00 |
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82bb366126
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Delete doc/pair_ilj_cut.rst
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2025-04-17 14:06:14 +02:00 |
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ab75943e39
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Add files via upload
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2025-04-17 14:02:32 +02:00 |
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ae19abdd7a
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Add files via upload
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2025-04-17 14:01:14 +02:00 |
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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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5d9a7d154d
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address spelling and formatting issues
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2025-04-15 22:48:25 -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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49d5e02c11
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Variable name change, fixing some spacing/typos
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2025-04-15 17:34:46 -06:00 |
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0c29a0a0c9
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changed damp_type to be a mdr damping coefficent
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2025-04-15 13:55:38 -04:00 |
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4bfdd3eb34
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Remove trailing whitespace
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2025-04-14 16:22:11 -06:00 |
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51de62ce05
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Reconcile version changes to documentation and polish
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2025-04-14 15:58:19 -06:00 |
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703750f4c8
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Merge branch 'kmc' of https://github.com/jtavenner-dev/lammps into kmc
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2025-04-14 15:57:16 -06:00 |
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a3bc1a6c0b
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Merge branch 'lammps:develop' into kmc
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2025-04-14 15:52:23 -06:00 |
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ca246a50f1
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Merge branch 'develop' of https://www.github.com/lammps/lammps into kmc
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2025-04-14 15:37:47 -06:00 |
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3a6ea0808d
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Merged changes to documentation for further user clarity
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2025-04-14 15:36:33 -06:00 |
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e4c3b0c05e
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New example and log files
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2025-04-14 11:33:02 -07:00 |
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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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