Commit Graph

7792 Commits

Author SHA1 Message Date
ee78e3e201 add -f option to install.py to install into externally-managed environments 2025-03-19 03:14:34 -04:00
4cd3fa1e38 spelling 2025-03-18 20:24:04 -04:00
90cd786c2d document how to address "externally managed environment" errors with install-python 2025-03-18 20:20:56 -04:00
d02e26d3ba document DOWNLOAD_POTENTIALS with CMake 2025-03-18 19:49:04 -04:00
4aece11628 add note about need to run ldconfig on Linux system after make install 2025-03-17 23:33:39 -04:00
e502d40491 Merge remote-tracking branch 'github/develop' into collected-small-fixes 2025-03-17 17:40:29 -04:00
6f0a59372c Merge pull request #4500 from akohlmey/remove-smallsmall
Remove support for -DLAMMPS_SMALLSMALL
2025-03-17 17:16:54 -04:00
b329d01e5e small clarification 2025-03-17 12:25:06 -04:00
067f998eac Update Build_manual.rst 2025-03-15 10:57:28 -06:00
546ea917c7 fix a few more .rst formatting issues flagged by pandoc 2025-03-15 12:35:12 -04:00
54be0adfb8 resolve some issues in .rst files detected by pandoc 2025-03-15 12:00:53 -04:00
48570e01ba Merge branch 'develop' into use-pandoc-for-fasthtml 2025-03-15 11:05:12 -04:00
07c0c435ef Merge branch 'develop' into remove-smallsmall 2025-03-15 02:11:02 -04:00
81ab0b7504 Merge pull request #4456 from akohlmey/add-error-explanations
Add short explanations and URL to them for common errors and warnings
2025-03-14 20:18:34 -04:00
3aba21f6e2 Merge pull request #4481 from akohlmey/collected-small-fixes
Collected small fixes and changes
2025-03-14 18:10:14 -04:00
cea31e463d remove references to -DLAMMPS_SMALLSMALL and trigger error when used 2025-03-14 10:20:31 -04:00
a0d1deea44 small clarification. add version tag for universe keyword 2025-03-14 09:54:55 -04:00
fcb2eee686 corrections for documentation of bosonic PIMD fix styles 2025-03-14 09:54:26 -04:00
e97807b92e clarify. mention using timer command to re-enable regular runs 2025-03-14 07:00:30 -04:00
29558a1141 key word -> keyword 2025-03-14 06:59:33 -04:00
5ab442f10b Include yukawa in the list of supported pair styles in fix_adapt.rst 2025-03-14 09:32:10 +01:00
e3de43f2b0 modernize use of \it and \sf 2025-03-13 22:25:14 -04:00
8ff5855e40 modernize boldface font selection in LaTeX sections 2025-03-13 22:14:07 -04:00
9da8a7f73a improve error pointers and out-of-range message for dump custom 2025-03-13 22:05:44 -04:00
bf1a5e05fd correctly flag out-of-range access for thermo data, where possible 2025-03-13 18:11:18 -04:00
34b3dd9ebd Proofreading errors doc page 2025-03-13 11:34:09 -06:00
889f91763f explain image flag related errors and warnings 2025-03-13 09:36:58 -04:00
9d70c8b8ae provide error information for two more cases 2025-03-13 05:31:41 -04:00
0a4a2f6deb Merge branch 'develop' into collected-small-fixes 2025-03-13 03:06:14 -04:00
f158b5195e add explanation for "did not assign all atoms" 2025-03-12 22:51:29 -04:00
33ac6c8836 address several issues related to variables and improve error messages 2025-03-12 22:33:07 -04:00
16ed78f435 Merge remote-tracking branch 'github/develop' into add-error-explanations 2025-03-12 20:36:18 -04:00
6d6fce7866 provide explanation for "variable evaluated before simulation box is defined" 2025-03-12 20:36:01 -04:00
c3976a444c Merge branch 'develop' into use-pandoc-for-fasthtml 2025-03-12 19:54:58 -04:00
377c423e42 Update pair_coul.rst
Updated CTIP citation
2025-03-12 15:17:31 -07:00
063d595233 Update pair_coul.rst
Updated CTIP citation
2025-03-12 15:16:59 -07:00
9c4181e42e Update fix_qeq.rst
Updated CTIP citation
2025-03-12 15:15:35 -07:00
bd7420e496 Merge remote-tracking branch 'github/develop' into add-error-explanations 2025-03-12 18:08:53 -04:00
130b898e26 update documentation for new "make fasthtml" 2025-03-12 17:50:27 -04:00
c7f5d07a68 modernize LaTeX for formatting text in math mode 2025-03-12 17:14:11 -04:00
42219ac784 modernize LaTeX for formatting text in math mode 2025-03-12 17:08:56 -04:00
24ce7bedcd Merge pull request #4493 from ssande7/correlate_first
Add `type first` option to correlation fixes
2025-03-12 16:33:38 -04:00
f097e8d951 Merge pull request #4479 from yotamfe/bosonic-pimd-langevin
Adding support for bosonic path integral molecular dynamics simulations
2025-03-12 15:28:51 -04:00
3e62e660e5 Update fix_pimd_bosonic.rst - delete trailing whitespace 2025-03-12 18:20:30 +02:00
4a2d78fd99 Update fix_pimd.rst - delete trailing whitspace 2025-03-12 18:19:48 +02:00
d0aabe57bc better grammar 2025-03-12 11:59:34 -04:00
1cc69bd0df support referencing the general advice paragraphs 2025-03-12 11:58:30 -04:00
e3bf1a194d fix typos 2025-03-12 11:56:40 -04:00
930d3ddc17 resolve spelling and formatting issues 2025-03-12 11:53:57 -04:00
508eeddf87 Merge branch 'develop' into add-error-explanations 2025-03-12 11:39:13 -04:00