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f1d19c96cb
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Merge branch 'develop' of github.com:lammps/lammps into kk_update_4.6.1
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2025-06-27 09:50:48 -06:00 |
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b7be53f3fc
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Merge pull request #4633 from jtclemm/rheo
Fixes to RHEO package
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2025-06-25 11:18:27 -04:00 |
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03611c95ae
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improve error messages
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2025-06-24 20:38:29 -04:00 |
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db244166ca
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Merge branch 'develop' into rheo
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2025-06-24 20:29:18 -04:00 |
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8dad9a0f68
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Merge pull request #4630 from akohlmey/collected-small-changes
Collected small changes and fixes
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2025-06-24 20:17:41 -04:00 |
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08d81a5ac2
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Correcting simple variable type mistake
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2025-06-24 12:08:54 -06:00 |
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938f7fa0ef
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remove clang-tidy support from CMake since we now run this automatically
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2025-06-24 07:49:57 -04:00 |
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63c9987ec8
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make scope explicit since virtual tables are not set up in constructor
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2025-06-24 06:13:13 -04:00 |
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d0c460e7f7
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flag move constructor and swap function as noexcept for improved performance
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2025-06-24 06:12:49 -04:00 |
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e8780449d8
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remove redundant part from logical expressions
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2025-06-24 05:47:36 -04:00 |
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df04fc943d
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make implicit boolean conversions explicit
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2025-06-24 05:47:05 -04:00 |
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264750e47c
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no need to run sphinx-build twice after updating sphinxfortran extension from upstream
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2025-06-24 00:41:10 -04:00 |
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b61410bde0
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some additional explanations for neighbor boost single error
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2025-06-24 00:16:00 -04:00 |
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80fbdceff2
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reformate for improved readability and make some updates due to changes in the code
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2025-06-24 00:09:46 -04:00 |
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24b15f7e46
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add false positives
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2025-06-24 00:09:18 -04:00 |
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e45299f620
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must load numpy into docenv to correctly process python numpy wrapper docs
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2025-06-24 00:09:09 -04:00 |
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179cce90bc
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use C++11 style of disabling constructors
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2025-06-23 23:20:26 -04:00 |
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8c12ab5db0
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update a few more rounding cases with std::lround()
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2025-06-23 23:17:14 -04:00 |
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f7f5a3e3e4
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replace static_cast<int>(val + 0.5) with C++11's std::lround()
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2025-06-23 23:07:13 -04:00 |
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7e3d6026d4
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Restoring rheo options to set
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2025-06-23 20:53:51 -06:00 |
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d5d8887eb9
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improve error messages
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2025-06-23 22:49:17 -04:00 |
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56f839f2e1
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replace custom nint() function with C++11's std::lround()
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2025-06-23 22:49:06 -04:00 |
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a7b7be26dc
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improve errors
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2025-06-23 22:42:48 -04:00 |
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50ba0e577e
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cast to double before printing
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2025-06-23 22:37:27 -04:00 |
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727c0b251a
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Clarifying exception in fix deform doc
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2025-06-23 20:35:53 -06:00 |
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b94c41c05a
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Fixing some static code analysis issues in RHEO
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2025-06-23 20:35:36 -06:00 |
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e9a578a212
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t status
Merge branch 'develop' into rheo
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2025-06-23 19:50:29 -06:00 |
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750e663be8
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try to suppress false positive from static code analysis (natom is always > 0)
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2025-06-23 19:21:00 -04:00 |
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8305c97b69
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address some issues flagged by static code analysis
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2025-06-23 19:20:32 -04:00 |
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8cf24edc21
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improve error messages and suppress static code analysis warnings
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2025-06-23 19:20:00 -04:00 |
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249c6d6de9
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add emacs local variable tweaks and add some missing docstrings
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2025-06-23 16:51:33 -04:00 |
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bfa19f678d
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future-proof iarray() and darray() conversions and document them
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2025-06-23 16:29:12 -04:00 |
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8401b6aee8
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use utils::inumeric() instead of utils::numeric() for integers
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2025-06-23 06:57:51 -04:00 |
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9d6758f269
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merge two if statements with the same condition following each other
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2025-06-23 06:43:59 -04:00 |
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70d36b1b4c
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when finalizing from the fortran module we should also free the external fix storage
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2025-06-22 21:48:57 -04:00 |
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4a9fa1ba87
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restore compilation without -DNDEBUG
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2025-06-22 18:40:58 -04:00 |
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b3c403f464
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run KOKKOS force style unit tests with serial when OpenMP is not available
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2025-06-22 18:29:45 -04:00 |
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12dcaa2d03
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eliminate compiler warnings
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2025-06-22 18:12:20 -04:00 |
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1e6eeda958
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remove dead code and address warnings from static code analysis
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2025-06-22 17:49:47 -04:00 |
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c6478e245a
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fix up emitterutils source file in bundled yaml-cpp in ML-PACE for GCC 15+
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2025-06-22 17:22:41 -04:00 |
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cfe87f928d
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update email address
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2025-06-22 16:36:50 -04:00 |
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469846e73c
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correct broken doc line
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2025-06-22 07:22:36 -04:00 |
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9b382dac41
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apply more pylint recommendations
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2025-06-21 23:22:34 -04:00 |
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679806206d
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detect header keywords and section titles from data files and print suitable error
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2025-06-21 17:59:54 -04:00 |
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c118af34e0
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small doc update
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2025-06-21 17:58:49 -04:00 |
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46fc4b21a5
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make fix deposit and fix pour compatible with body particles from molecule templates
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2025-06-21 17:17:39 -04:00 |
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2b3af7b371
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silence compiler warnings
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2025-06-21 17:05:36 -04:00 |
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aecc85e3d5
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avoid out-of-bounds memory access when registering fix external callbacks
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2025-06-21 16:42:39 -04:00 |
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e3b1d27e0a
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whitespace
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2025-06-21 14:34:01 -04:00 |
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06d47f7279
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didn't count if atom-id was used
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2025-06-21 14:32:18 -04:00 |
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