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48570e01ba
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Merge branch 'develop' into use-pandoc-for-fasthtml
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2025-03-15 11:05:12 -04:00 |
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81ab0b7504
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Merge pull request #4456 from akohlmey/add-error-explanations
Add short explanations and URL to them for common errors and warnings
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2025-03-14 20:18:34 -04:00 |
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3aba21f6e2
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Merge pull request #4481 from akohlmey/collected-small-fixes
Collected small fixes and changes
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2025-03-14 18:10:14 -04:00 |
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55eeaca69c
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Merge pull request #4498 from evoyiatzis/patch-4
implement extract() in pair_style yukawa
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2025-03-14 13:27:44 -04:00 |
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4e0d37ecc2
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ensure that df[] array is always initialized
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2025-03-14 12:19:00 -04:00 |
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4c3260a0dc
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fix bug missing a read_int() when reading general triclinic rotation matrix
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2025-03-14 12:18:42 -04:00 |
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a0d1deea44
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small clarification. add version tag for universe keyword
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2025-03-14 09:54:55 -04:00 |
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fcb2eee686
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corrections for documentation of bosonic PIMD fix styles
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2025-03-14 09:54:26 -04:00 |
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e97807b92e
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clarify. mention using timer command to re-enable regular runs
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2025-03-14 07:00:30 -04:00 |
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29558a1141
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key word -> keyword
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2025-03-14 06:59:33 -04:00 |
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5ab442f10b
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Include yukawa in the list of supported pair styles in fix_adapt.rst
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2025-03-14 09:32:10 +01:00 |
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7374d38b44
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Update mol-pair-yukawa.yaml
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2025-03-14 09:27:32 +01:00 |
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419b18bd16
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implement extract() in pair_yukawa.cpp
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2025-03-14 09:25:28 +01:00 |
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b11672a99f
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define extract() in pair_yukawa.h
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2025-03-14 09:16:57 +01:00 |
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d784706a68
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small changes to appease coverity scan
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2025-03-14 02:47:14 -04:00 |
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e3de43f2b0
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modernize use of \it and \sf
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2025-03-13 22:25:14 -04:00 |
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8ff5855e40
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modernize boldface font selection in LaTeX sections
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2025-03-13 22:14:07 -04:00 |
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9da8a7f73a
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improve error pointers and out-of-range message for dump custom
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2025-03-13 22:05:44 -04:00 |
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bf1a5e05fd
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correctly flag out-of-range access for thermo data, where possible
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2025-03-13 18:11:18 -04:00 |
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03f71259c1
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Merge pull request #4494 from lammps/example-input-fixes
fixed issues with several input scripts, added reference log files
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2025-03-13 14:34:44 -04:00 |
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34b3dd9ebd
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Proofreading errors doc page
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2025-03-13 11:34:09 -06:00 |
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889f91763f
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explain image flag related errors and warnings
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2025-03-13 09:36:58 -04:00 |
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bfdfd322df
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make compatible with C++20 and later
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2025-03-13 05:41:32 -04:00 |
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9d70c8b8ae
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provide error information for two more cases
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2025-03-13 05:31:41 -04:00 |
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0f10741f71
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update tests for variable commands
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2025-03-13 04:38:58 -04:00 |
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f6394b2a61
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remove obsolete line
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2025-03-13 04:21:20 -04:00 |
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c449bed814
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apply clang-format
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2025-03-13 04:15:49 -04:00 |
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b53449ff10
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free communicator only if not NULL
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2025-03-13 04:15:41 -04:00 |
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a1c0d93953
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limit to 1 processor per partition
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2025-03-13 04:15:16 -04:00 |
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8c9e1fe6a2
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update pimd/*/bosonic examples
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2025-03-13 04:00:54 -04:00 |
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009a7b1916
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print detailed version string also for multi-replica runs
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2025-03-13 03:58:51 -04:00 |
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0812d3c772
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must use delete[] on array allocated with new
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2025-03-13 03:58:33 -04:00 |
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71c8c2aaa2
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improve error messages
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2025-03-13 03:58:12 -04:00 |
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933f618eb4
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update .gitignore
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2025-03-13 03:57:41 -04:00 |
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0a4a2f6deb
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Merge branch 'develop' into collected-small-fixes
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2025-03-13 03:06:14 -04:00 |
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bdb661451d
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revert unintended commit
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2025-03-13 03:00:24 -04:00 |
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a892495575
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revert unintended commit
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2025-03-13 02:59:43 -04:00 |
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24444f2f7c
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use minimal CSS file and explicit template
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2025-03-12 23:45:48 -04:00 |
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fd06c20a6a
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fix copy-n-paste error
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2025-03-12 22:58:33 -04:00 |
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f158b5195e
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add explanation for "did not assign all atoms"
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2025-03-12 22:51:29 -04:00 |
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33ac6c8836
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address several issues related to variables and improve error messages
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2025-03-12 22:33:07 -04:00 |
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16ed78f435
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Merge remote-tracking branch 'github/develop' into add-error-explanations
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2025-03-12 20:36:18 -04:00 |
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6d6fce7866
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provide explanation for "variable evaluated before simulation box is defined"
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2025-03-12 20:36:01 -04:00 |
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084bdb2da6
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Merge pull request #4496 from gplummer317/ctip
CTIP citation update
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2025-03-12 19:59:17 -04:00 |
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c3976a444c
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Merge branch 'develop' into use-pandoc-for-fasthtml
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2025-03-12 19:54:58 -04:00 |
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377c423e42
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Update pair_coul.rst
Updated CTIP citation
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2025-03-12 15:17:31 -07:00 |
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063d595233
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Update pair_coul.rst
Updated CTIP citation
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2025-03-12 15:16:59 -07:00 |
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9c4181e42e
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Update fix_qeq.rst
Updated CTIP citation
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2025-03-12 15:15:35 -07:00 |
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bd7420e496
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Merge remote-tracking branch 'github/develop' into add-error-explanations
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2025-03-12 18:08:53 -04:00 |
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130b898e26
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update documentation for new "make fasthtml"
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2025-03-12 17:50:27 -04:00 |
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