Commit Graph

39952 Commits

Author SHA1 Message Date
c683489110 Added a valgrind section to Tools.rst. 2024-08-14 19:25:22 +02:00
aa0b6c47c2 Merge pull request #4263 from akohlmey/collected-small-fixes
Collected small fixes and updates for LAMMPS and LAMMPS-GUI
2024-08-13 15:22:54 -04:00
0f792b0434 cast return value to void to indicate that we want to ignore the result 2024-08-13 12:36:43 -04:00
b479cf6c68 use old fashioned way to signal we want to ignore the return value 2024-08-13 11:38:22 -04:00
dd148557b5 enforce initialization 2024-08-13 11:34:11 -04:00
b459f33f5e avoid off-by-on overflow 2024-08-13 11:34:11 -04:00
6dad7f7396 forgot to flag development version. 2024-08-13 11:09:14 -04:00
063e6bcdc8 small tweaks 2024-08-13 11:06:04 -04:00
0d968374b8 small cleanup 2024-08-13 06:39:47 -04:00
164419bc1f cosmetic 2024-08-13 03:48:35 -04:00
bd2e1098ce avoid tiny memory leak 2024-08-13 03:44:30 -04:00
bb2c8d8da0 propagate font choices 2024-08-13 03:42:41 -04:00
206302a8e1 more consistent font selections by avoiding QApplication 2024-08-13 03:21:32 -04:00
8111697882 relax epsilong to accommodate MSVC++ 2024-08-13 01:08:57 -04:00
a5fe6543a7 check for errors of the geturl command and abort with message 2024-08-13 00:15:35 -04:00
17ea8d6381 update comment 2024-08-12 23:52:41 -04:00
4ee6910d98 add tests for 2NN MEAM potentials 2024-08-12 23:48:06 -04:00
1af5519379 update -restart2info and info docs 2024-08-12 22:57:21 -04:00
5bcfed5fce symlink potentials 2024-08-12 22:02:57 -04:00
a4bff8988b add missing potentials via symlinks 2024-08-12 21:55:13 -04:00
633ff19ab9 fix up some EFF inputs and create conventional log files 2024-08-12 21:51:59 -04:00
2115ac8971 use compliant box creation for 2d 2024-08-12 21:25:42 -04:00
8a77949db2 cleanly demo/test using restart files without leaving binary files behind 2024-08-12 21:19:46 -04:00
a1adf5d2d1 avoid mismatched new/deletep[] and malloc()/free() 2024-08-12 21:04:12 -04:00
24436e3463 fix typo 2024-08-12 11:11:32 -04:00
462e9756ce fix box dimensions to comply with stricter requirement for 2d geometries 2024-08-12 10:54:00 -04:00
fe98a875bb must check more thoroughly 2024-08-12 10:26:56 -04:00
f98568c350 add completer for extra/* arguments to read_data 2024-08-12 00:57:50 -04:00
d759d8acf7 must have network access for the flatpak app 2024-08-11 23:40:17 -04:00
243b593426 add permission to desktop 2024-08-11 23:23:58 -04:00
accbd69c03 use more reliable conversion to const char * 2024-08-11 23:15:21 -04:00
9ab07ecba6 don't return temporaries 2024-08-11 22:55:37 -04:00
9080d6bfed add wizard for tutorial 2 2024-08-11 22:55:27 -04:00
23139db860 must use different conversion to const char* to avoid garbage output 2024-08-11 19:19:56 -04:00
c6e90eed9c update appdata for LAMMPS-GUI 2024-08-11 14:08:43 -04:00
231c3910ba fix up icon 2024-08-11 12:25:20 -04:00
c7f6d75856 add an "info" page to the wizard explaining the content of tutorial 1 2024-08-11 12:17:29 -04:00
cccb43bb9b turn off CA verification as it fails on Windows 2024-08-11 12:17:06 -04:00
9163c40b7d put the tutorial folders into the user's "Desktop" folder instead of home or application folder. 2024-08-11 12:16:46 -04:00
a92192d16b automatically include release version in binary package name 2024-08-11 09:58:21 -04:00
ccd77da836 integrate new tutorial logo 2024-08-11 09:31:09 -04:00
fedeeaef24 rework wizard for tutorial 1 to load manifest 2024-08-11 00:18:11 -04:00
a94fa9cd43 Merge branch 'develop' into collected-small-fixes 2024-08-10 11:54:50 -04:00
4b756e0b1c Merge pull request #4270 from lammps/fix-store-global-bug-fix
Fix a bug when restarting with stored data in fix STORE/GLOBAL for global vectors or arrays
2024-08-10 11:29:06 -04:00
22f25f0c00 whitespace 2024-08-10 10:13:36 -04:00
f5b1ec668e enforce using the same style wizard dialogs on all platforms 2024-08-09 22:41:24 -04:00
423cf977fa wizard for tutorial 1 is almost complete 2024-08-09 18:30:24 -04:00
658cadceea add helper to purge directories recursively 2024-08-09 18:29:38 -04:00
7ce2919092 removed debug info 2024-08-09 14:10:15 -06:00
a294a970e3 ensure restart with global data resets the vector/array sizes 2024-08-09 14:01:41 -06:00