Commit Graph

43821 Commits

Author SHA1 Message Date
0bab80a26e not much use for editing x axis label. better give more space to other options 2025-04-13 19:33:07 -04:00
f181ca6aec support setting graph colors in preferences 2025-04-13 16:56:21 -04:00
1eb61936ab refactor reaction counting
previously, the rate_limit keyword did not work when also creating atoms
2025-04-13 12:56:01 -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
bb09088731 add new tab to preferences for charts window settings 2025-04-12 11:49:41 -04:00
1ad2df84d8 add checkbox to automatically open tutorial website, if available 2025-04-12 06:49:44 -04:00
d0c3564216 update TODO list 2025-04-12 00:53:45 -04:00
2dd53c440e Add mini ToC for HowTo only and reorganize the introduction 2025-04-12 00:47:35 -04:00
ed1f4cc381 add functionality to edit the plot title and x- and y-axis labels 2025-04-11 23:25:56 -04:00
09d3ac0a1b Updated GJ-VII, GJ-VIII 2025-04-11 20:07:25 -07:00
3aa3d45a9f Merge pull request #4532 from akohlmey/collected-small-fixes
Collected small fixes and changes
2025-04-11 21:02:02 -04:00
a30daec348 Addition of GJ-VII 2025-04-11 13:40:35 -07:00
2ca9e188c0 Prevent BPM bonds breaking during setup 2025-04-11 12:53:51 -06:00
b8e14cd0c9 correct and rephrase one more time 2025-04-11 14:04:33 -04:00
3810be6c8b correct / clarify embedded docs 2025-04-11 14:04:27 -04:00
7a40e78c7a Merge conflict 2025-04-11 11:21:56 -06:00
e79171c1de Merge branch 'develop' into rheo 2025-04-11 11:18:53 -06:00
f786707699 Cleaning up granular restitution example 2025-04-11 11:14:34 -06:00
02c627db82 Merge branch 'collected-small-fixes' of github.com:akohlmey/lammps into collected-small-fixes 2025-04-11 12:34:45 -04:00
190ecd2666 clarify 2025-04-11 12:34:31 -04:00
a5b83224e4 rephrase to be less ambiguous and provide a couple more details 2025-04-11 12:29:03 -04:00
2bb9454190 Correct style 2025-04-10 13:15:30 -07:00
43a7b14b7c New example structure 2025-04-10 12:01:02 -07:00
4dd8c66390 Updated documentation 2025-04-10 10:33:08 -07:00
90797c7b62 document that also molecules from the molecule command can be visualized 2025-04-10 11:51:13 -04:00
83c785740b improve phrasing 2025-04-10 10:49:27 -04:00
dfc10e5b59 small improvements of molecule visualization. 2025-04-10 08:56:57 -04:00
bc031bdd7a initial attempt to allow viewing molecules. 2025-04-10 08:23:04 -04:00
f2bf0d0a8b add optional create_atoms group keyword to add new atoms to a custom group 2025-04-10 05:36:26 -04:00
980bf70310 improve error messages 2025-04-10 05:00:41 -04:00
227b4ed12d remove unused class members and plug memory leaks 2025-04-10 04:39:56 -04:00
32592e6660 add feature idea for LAMMPS-GUI 2025-04-10 01:13:44 -04:00
2f861b83d7 correct embedded documentation 2025-04-10 00:01:40 -04:00
d1f452fcb6 fix whitespace issues 2025-04-09 17:45:54 -04:00
6e7cbbeb9c add errorurl(36) message to all "boost neigh_modify one" errors 2025-04-09 17:35:42 -04:00
e9695df0e8 Provide some additional explanations for the "boost neigh_modify one" error 2025-04-09 17:29:34 -04:00
8fd1bf23c9 only compute special neighbors of a template if it has bonds 2025-04-09 16:41:46 -04:00
f16f65c8dc add missing entries 2025-04-09 10:45:51 -04:00
bd6bb3ce10 Updated integrator, streamlined variables 2025-04-08 17:35:09 -07:00
585565edb9 corrected initialization of damp_type, error checks, doc changes, example script updates 2025-04-08 20:33:28 -04:00
210cddd94e working on adding damping types to mdr damping 2025-04-08 18:32:45 -04:00
d6e9a6a44a Update atom->quat in fix_rigid_small.cpp 2025-04-08 10:03:36 -04:00
813e65026e fixing whitespaces 2025-04-08 15:53:45 +02:00
586d24f5ef whitespace 2025-04-07 23:02:00 -04:00
7643c901eb cleaned mdr damping and updated velocity damping for mdr use 2025-04-07 22:57:29 -04:00
a237bdc753 Merge remote-tracking branch 'github/develop' into remove-cmake-tune-flags 2025-04-07 22:50:50 -04:00
af718e8162 remove one more use to CMAKE_TUNE_FLAGS 2025-04-07 22:50:38 -04:00
c9f25a69e5 remove rarely working hack 2025-04-07 22:48:44 -04:00
b6dae216d3 no need to set build type specific flags 2025-04-07 22:48:18 -04:00