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0ce5d68455
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Merge branch 'develop' into talinke/develop
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2025-04-29 17:20:15 -04:00 |
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1062a8fb3a
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add deprecation warning to fix langevin and document it
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2025-04-29 17:20:04 -04:00 |
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332006923d
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Name change: langevin/gjf to gjf
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2025-04-29 12:00:06 -07:00 |
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440e24c60e
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Merge pull request #4559 from lammps/gcmc-eatom
Added atomic energy option for energy change calculation in fix sgcmc
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2025-04-28 22:26:15 -04:00 |
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d4867ab55e
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add false positives
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2025-04-28 22:22:47 -04:00 |
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2927b08792
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correct reference
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2025-04-28 22:20:57 -04:00 |
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4a3c08576f
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small formal updates
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2025-04-28 22:19:14 -04:00 |
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c886fff624
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Merge branch 'develop' into gcmc-eatom
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2025-04-28 17:55:48 -06:00 |
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fc0788f61c
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Styling
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2025-04-28 13:18:33 -07:00 |
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b5f3660101
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Merge branch 'lammps:develop' into develop
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2025-04-28 13:16:24 -07:00 |
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11f6b3483b
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Updated documentation, updated log files
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2025-04-28 13:02:47 -07:00 |
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2c27ea3706
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Fix spelling in comment
Co-authored-by: Copilot <175728472+Copilot@users.noreply.github.com>
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2025-04-26 13:32:21 -04:00 |
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40d8e1b95f
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Merge pull request #4535 from Bibobu/plot_forces_tool
Adding python tool to plot tabulated forces
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2025-04-26 00:50:32 -04:00 |
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4b2163666c
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Merge pull request #4545 from jtclemm/rheo
Small patches to various packages
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2025-04-26 00:46:49 -04:00 |
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f577dcb28b
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Merge pull request #4570 from akohlmey/collected-small-changes
More small changes to recover builds of "develop"
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2025-04-25 16:30:16 -04:00 |
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d416202b71
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restore missing blank
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2025-04-25 16:16:15 -04:00 |
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46f4f5a3c0
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move JSON class back to try recover legacy builds
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2025-04-25 16:11:11 -04:00 |
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9b258d4c82
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try another variant
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2025-04-25 15:51:39 -04:00 |
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1597019419
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another small tweak
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2025-04-25 15:44:52 -04:00 |
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c8b841b08e
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small tweak
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2025-04-25 15:31:32 -04:00 |
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3b9ddf7a1f
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spelling
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2025-04-25 14:59:42 -04:00 |
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cab78b2c0d
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correct docs related to adding explicit Coulomb interactions
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2025-04-25 14:15:01 -04:00 |
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734bc915e2
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must include third_party folder with legacy build
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2025-04-25 14:14:20 -04:00 |
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3c5e85a7c0
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Merge pull request #4550 from akohlmey/collected-small-fixes
Collected small changes and fixes
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2025-04-25 13:46:59 -04:00 |
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9e26d8b569
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Missing derivative for RK0
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2025-04-25 10:19:28 -06:00 |
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43fcf6eccc
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use ioffset variable.
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2025-04-25 11:44:03 -04:00 |
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d25d0cbc7e
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Merge pull request #4562 from mateors6/lj/pirani
Add pair style lj/pirani
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2025-04-25 11:27:58 -04:00 |
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8e07d48518
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GitHub has stopped support for subversion in 2024. Remove note from 2016.
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2025-04-24 18:42:19 -04:00 |
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d4ba5d1fe6
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Fixing bug in minimum density
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2025-04-24 10:53:17 -06:00 |
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a1fc036e25
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Fix typo in src/timer.cpp
Co-authored-by: Copilot <175728472+Copilot@users.noreply.github.com>
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2025-04-24 07:53:05 -04:00 |
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20d3d47fe3
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Update pair_lj_pirani.rst
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2025-04-24 09:18:41 +02:00 |
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2d70947044
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two more workarounds for compilation with -DFMT_STATIC_THOUSANDS_SEPARATOR
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2025-04-23 21:00:40 -04:00 |
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4126c9ed75
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implement workaround for compilers that require -DFMT_STATIC_THOUSANDS_SEPARATOR
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2025-04-23 14:20:10 -04:00 |
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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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f9dc879033
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add comment to indicate that setting the pointer to null has no effect in sfree.
You need Memory::destroy() but that can't be applied to all use cases.
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2025-04-23 08:41:56 -04:00 |
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b1159dc528
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fix up to Copilot suggested code change
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2025-04-23 05:58:10 -04:00 |
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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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648cd3f0c6
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Temperature bias capability
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2025-04-22 17:43:21 -07:00 |
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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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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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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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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
New name
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2025-04-22 14:47:24 +02:00 |
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