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67c6dc492b
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update to ScaFaCoS version 1.0.4
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2025-04-25 20:03:06 -04:00 |
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d406289a7a
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propagate changes from library.cpp/library.h to swig and plugin interface
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2025-04-25 17:04:32 -04:00 |
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1969c28e0c
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delete unused variables
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2025-04-25 16:35:54 -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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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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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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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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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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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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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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