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bb788cb1a2
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Merge remote-tracking branch 'github/develop' into file-formats
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2025-03-25 17:36:55 -04:00 |
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227b7840e7
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add disclaimer and improve some formulations
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2025-03-25 15:42:11 -04:00 |
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2d0c1af656
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Merge remote-tracking branch 'github/develop' into howto-bulk-to-slab
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2025-03-25 15:40:55 -04:00 |
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fecd93783b
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spelling
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2025-03-25 15:40:40 -04:00 |
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bafd2a8d6b
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Merge remote-tracking branch 'github/develop' into file-formats
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2025-03-25 14:22:55 -04:00 |
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5dbeacb1e8
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Merge pull request #4508 from jewettaij/master
Fixed the Moltemplate HowTo docs
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2025-03-25 13:02:31 -04:00 |
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183486d813
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implement suggestions from @ndtrung81
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2025-03-25 11:27:19 -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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cb5e45ff1f
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small tweaks
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2025-03-22 11:24:53 -04:00 |
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8a0900f0ab
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revert broken change to print angstrom character
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2025-03-22 11:20:37 -04:00 |
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9d0c25fbab
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improve wording
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2025-03-22 11:15:26 -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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725b34a70a
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add snapshot images to show the initial and final geometry and box
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2025-03-22 06:08:16 -04:00 |
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410d3e84b0
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add a Howto demonstrating how to convert a bulk molecular system to a slab
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2025-03-22 04:41:34 -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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ca575e395e
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fix spelling and duplicate references issues
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2025-03-19 20:39:06 -04:00 |
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37248a011e
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deleted trailing whitespace in the Howto_moltemplate.rst file (for PR #4508)
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2025-03-19 15:30:06 -04:00 |
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63b8e86a4b
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tried to minimize the differences between my version and the existing version
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2025-03-19 13:58:46 -04:00 |
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6700a3bed1
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Fixed the Moltemplate HowTo docs. (I also added a very simple polymer example.) This needed to be done because the file names and @atom types in the old version of this HowTo are no longer accurate. OPLSAA has changed. Now this HowTo is compatible with the latest version of OPLSAA. More importantly, after this update, the HowTo documentation should never need to be updated again because OPLSAA force field files are named according to the OPLSAA version/date. For example, the "oplsaa.lt" file has been renamed to "oplsaa2024.lt". Future OPLSAA updates will go in other files with different names. So the @atom types in this HowTo example should never need to be updated in the future, regardless what happens with OPLSAA.
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2025-03-19 13:36:09 -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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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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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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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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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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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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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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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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