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b4e4ea1069
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we don't need lammps_throw_error. just call lmp->error->xxx
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2025-03-23 21:23:24 -04:00 |
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ccbf47c66d
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forgot exceptions in two cases
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2025-03-23 19:02:10 -04:00 |
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6fca985d5d
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add method that allows suppressing printing error messages immediately
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2025-03-23 19:01:25 -04:00 |
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a26ea958c6
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throw suitable exception when trying to extract unknown or incompatible compute or fix data
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2025-03-23 18:07:08 -04:00 |
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adaa313990
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Merge pull request #4502 from akohlmey/collected-small-fixes
Collected small changes and fixes
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2025-03-23 15:59:38 -04:00 |
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88cecbd11d
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alternate implementation of jump to top by @rbberger
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2025-03-22 18:54:49 -04:00 |
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c289ad9471
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forgot to include upward arrow image
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2025-03-22 06:08:48 -04:00 |
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3834169c92
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first attempt to implement a "jump to top" anchor in the sidebar
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2025-03-21 19:30:28 -04:00 |
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ee78e3e201
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add -f option to install.py to install into externally-managed environments
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2025-03-19 03:14:34 -04:00 |
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4cd3fa1e38
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spelling
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2025-03-18 20:24:04 -04:00 |
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90cd786c2d
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document how to address "externally managed environment" errors with install-python
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2025-03-18 20:20:56 -04:00 |
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d02e26d3ba
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document DOWNLOAD_POTENTIALS with CMake
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2025-03-18 19:49:04 -04:00 |
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69881baa0c
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add false positives
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2025-03-17 23:33:47 -04:00 |
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4aece11628
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add note about need to run ldconfig on Linux system after make install
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2025-03-17 23:33:39 -04:00 |
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7d6c19f51b
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adjust for macos_arm64 arch
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2025-03-17 18:12:33 -04:00 |
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f0b988904d
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add some notes about releasing a stable release update
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2025-03-17 17:59:32 -04:00 |
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e502d40491
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Merge remote-tracking branch 'github/develop' into collected-small-fixes
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2025-03-17 17:40:29 -04:00 |
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6f0a59372c
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Merge pull request #4500 from akohlmey/remove-smallsmall
Remove support for -DLAMMPS_SMALLSMALL
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2025-03-17 17:16:54 -04:00 |
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b329d01e5e
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small clarification
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2025-03-17 12:25:06 -04:00 |
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9e8b9e55be
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Merge remote-tracking branch 'github/develop' into collected-small-fixes
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2025-03-17 11:01:42 -04:00 |
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0a7b528d39
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don't silence format errors
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2025-03-17 11:01:16 -04:00 |
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368e0a22a0
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adding WHAM dialog is postponed
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2025-03-16 19:21:08 -04:00 |
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d65b0ce666
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update to WHAM version 2.1.0
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2025-03-16 17:28:57 -04:00 |
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035aefcc26
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address issues flagged by coverity scan
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2025-03-15 21:38:18 -04:00 |
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73585e1dcc
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revert broken change to print angstrom character
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2025-03-15 21:17:00 -04:00 |
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2240430d5e
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Merge pull request #4495 from lammps/use-pandoc-for-fasthtml
Use pandoc for make fasthtml
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2025-03-15 15:55:00 -04:00 |
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067f998eac
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Update Build_manual.rst
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2025-03-15 10:57:28 -06:00 |
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546ea917c7
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fix a few more .rst formatting issues flagged by pandoc
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2025-03-15 12:35:12 -04:00 |
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b9218528cf
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CSS style tweaks to make pandoc output more similar to sphinx output
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2025-03-15 12:34:48 -04:00 |
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54be0adfb8
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resolve some issues in .rst files detected by pandoc
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2025-03-15 12:00:53 -04:00 |
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5b5b700318
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copy image files to fasthtml folder
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2025-03-15 12:00:16 -04:00 |
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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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2c3824bdd0
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update remaining places that used to support -DLAMMPS_SMALLSMALL
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2025-03-15 02:11:50 -04:00 |
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07c0c435ef
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Merge branch 'develop' into remove-smallsmall
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2025-03-15 02:11:02 -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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361914f3f1
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remove references to SMALLSMALL from GPU library
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2025-03-14 16:31:30 -04:00 |
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557d279774
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remove references to SMALLSMALL from examples
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2025-03-14 16:31:09 -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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cea31e463d
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remove references to -DLAMMPS_SMALLSMALL and trigger error when used
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2025-03-14 10:20:31 -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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