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2e8b95f0c1
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Update pair_lj_pirani.rst
Documentation update
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2025-04-23 19:34:06 +02:00 |
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290ca2a095
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Update pair_lj_pirani.rst
Corrections
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2025-04-22 21:13:22 +02:00 |
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73fe2f7915
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Update extract(), document, and test
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2025-04-22 11:28:17 -04:00 |
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d10e5dded2
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Add OPENMP package version of pair style lj/pirani
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2025-04-22 11:27:41 -04:00 |
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bbc025632d
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apply clang-format
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2025-04-22 10:50:24 -04:00 |
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25307b049c
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Update and rename mol-pair-lj_improved_cut.yaml to mol-pair-lj_pirani.yaml
New name
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2025-04-22 14:55:38 +02:00 |
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da903e6d44
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Update and rename pair_lj_improved_cut.h to pair_lj_pirani.h
New name
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2025-04-22 14:53:15 +02:00 |
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f9ba8caf4a
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Update and rename pair_lj_improved_cut.cpp to pair_lj_pirani.cpp
New name
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2025-04-22 14:51:27 +02:00 |
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7221e3993a
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Update .gitignore
New name
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2025-04-22 14:48:11 +02:00 |
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0673ac6acf
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Update pair_style.rst
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2025-04-22 14:47:24 +02:00 |
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fcc4092e83
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Update and rename pair_lj_improved_cut.rst to pair_lj_pirani.rst
New name
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2025-04-22 14:45:52 +02:00 |
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26ab7cd20d
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Update Commands_pair.rst
New name
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2025-04-22 14:44:05 +02:00 |
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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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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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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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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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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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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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