Commit Graph

7980 Commits

Author SHA1 Message Date
37a344a2ad add example for Python with vector-style variable 2025-05-20 13:33:36 -06:00
2351418c94 made collapse_tree() method work correctly in Variable class for Python function wrappers, also added support for vector-style variables to use Python function wrappers 2025-05-19 21:42:08 -06:00
ac059a15b0 added a NOTE 2025-05-19 14:39:30 -06:00
c3b25c8c27 updated doc pages and code 2025-05-19 14:34:22 -06:00
e474bfeece Merge remote-tracking branch 'github/develop' into atom-style-var-with-python 2025-05-01 16:03:27 -04:00
9b36c58eb2 fix spelling and docbuild issues 2025-05-01 16:03:11 -04:00
a2a2c541b5 tweaks to code and doc page 2025-05-01 12:57:27 -06:00
76d0ead245 doc pages for new Python function wrappers 2025-05-01 12:41:48 -06:00
19d25a3654 initial implementation of python functions in variable formulas, including for atom-style vars 2025-05-01 07:59:41 -06:00
2ab7eda64a improve warning and explanation about too short communication cutoff 2025-04-30 16:46:22 -04:00
2fa9cc7ae1 correct 2025-04-29 17:52:48 -04:00
2fc7d287d4 Merge branch 'develop' into collected-small-fixes 2025-04-28 22:27:32 -04:00
c886fff624 Merge branch 'develop' into gcmc-eatom 2025-04-28 17:55:48 -06:00
75d3d79fca open available error URLs with double click or from context menu 2025-04-28 18:25:40 -04:00
7151f261a0 address sphinx formatting issue due to added paragraph 2025-04-27 10:04:41 -04:00
1a1f4b1a82 correct reference 2025-04-26 02:17:54 -04:00
4897fbb210 Merge branch 'develop' into collected-small-fixes 2025-04-26 00:50:58 -04:00
40d8e1b95f Merge pull request #4535 from Bibobu/plot_forces_tool
Adding python tool to plot tabulated forces
2025-04-26 00:50:32 -04:00
4b2163666c Merge pull request #4545 from jtclemm/rheo
Small patches to various packages
2025-04-26 00:46:49 -04:00
7102cc2588 use bold font for column titles 2025-04-25 20:31:16 -04:00
3b9ddf7a1f spelling 2025-04-25 14:59:42 -04:00
cab78b2c0d correct docs related to adding explicit Coulomb interactions 2025-04-25 14:15:01 -04:00
3c5e85a7c0 Merge pull request #4550 from akohlmey/collected-small-fixes
Collected small changes and fixes
2025-04-25 13:46:59 -04:00
8e07d48518 GitHub has stopped support for subversion in 2024. Remove note from 2016. 2025-04-24 18:42:19 -04:00
20d3d47fe3 Update pair_lj_pirani.rst 2025-04-24 09:18:41 +02:00
2e8b95f0c1 Update pair_lj_pirani.rst
Documentation update
2025-04-23 19:34:06 +02:00
290ca2a095 Update pair_lj_pirani.rst
Corrections
2025-04-22 21:13:22 +02:00
73fe2f7915 Update extract(), document, and test 2025-04-22 11:28:17 -04:00
d10e5dded2 Add OPENMP package version of pair style lj/pirani 2025-04-22 11:27:41 -04:00
0673ac6acf Update pair_style.rst
New name
2025-04-22 14:47:24 +02:00
fcc4092e83 Update and rename pair_lj_improved_cut.rst to pair_lj_pirani.rst
New name
2025-04-22 14:45:52 +02:00
26ab7cd20d Update Commands_pair.rst
New name
2025-04-22 14:44:05 +02:00
7bfc15ff2c Address akohlmey comments 2025-04-21 10:06:50 -06:00
75d620c0a7 Fixed doc page 2025-04-19 18:21:39 -06:00
fc0a41fb71 Added atomic/energy keyword, EAM support, correct for examples/MC/in.sgcmc.eam in serial 2025-04-19 18:15:43 -06:00
6988c2f13e Typo in rheo doc 2025-04-19 10:55:19 -06:00
a59a2e4dba address multiple issues with formatting, references, non-ASCII characters, spelling 2025-04-18 00:48:28 -04:00
18dca0eeb1 Update pair_lj_improved_cut.rst 2025-04-17 21:58:50 +02:00
942e77d976 Update and rename pair_ilj_cut.rst to pair_lj_improved_cut.rst 2025-04-17 21:57:18 +02:00
7806244713 Update pair_style.rst 2025-04-17 21:09:43 +02:00
e15e7f699e Update Commands_pair.rst 2025-04-17 21:05:58 +02:00
854e9c7a19 Merge branch 'develop' into ILJ/CUT 2025-04-17 18:31:59 +02:00
a7760e82e1 Merge pull request #4536 from akohlmey/remove-cmake-tune-flags
Remove CMAKE_TUNE_FLAGS
2025-04-17 11:02:04 -04:00
0f80a5c93d Add files via upload 2025-04-17 14:06:57 +02:00
7be6e95647 Rephrasing suggested by @simongravelle 2025-04-14 06:28:29 -04:00
31df721767 update documentation 2025-04-13 20:01:06 -04:00
00673999af Merge remote-tracking branch 'github/develop' into lammps-gui-enhancements 2025-04-13 05:41:26 -04:00
994b7b4937 Merge pull request #4540 from evoyiatzis/fix-adapt-dihedral
extend fix adapt to treat dihedrals
2025-04-13 05:39:58 -04:00
1ad2df84d8 add checkbox to automatically open tutorial website, if available 2025-04-12 06:49:44 -04:00
2dd53c440e Add mini ToC for HowTo only and reorganize the introduction 2025-04-12 00:47:35 -04:00