Commit Graph

39933 Commits

Author SHA1 Message Date
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
d4b6bce4af grow a bit again 2024-08-09 12:22:18 -04:00
76fbece9ee clarification 2024-08-09 09:27:02 -04:00
28dc58a389 add 2NN MEAM potential files for High-Entropy Alloys 2024-08-08 21:56:58 -04:00
800335fe2f whitespace 2024-08-08 21:47:47 -04:00
9ce75ac45a remove menu entry to open web tutorial 2024-08-08 21:40:39 -04:00
2edc8dc1ac do not copy internal "noinit" keyword to clipboard 2024-08-08 21:40:20 -04:00
751d7f0197 improve error handling and reporting for MEAM user parameter file 2024-08-08 21:27:44 -04:00
54dc7776f2 small grammar tweak 2024-08-08 21:27:06 -04:00
7f2267041e make smaller 2024-08-08 15:30:28 -04:00
23fb11736a rewrite 2024-08-08 15:30:20 -04:00
bd0574c11d Merge remote-tracking branch 'github/develop' into collected-small-fixes 2024-08-08 13:43:25 -04:00
62665dd079 Merge pull request #4266 from akohlmey/geturl-command
New geturl command to download files for LAMMPS inputs on demand
2024-08-08 13:42:21 -04:00
4ad7740676 fix up cut-n-paste error 2024-08-08 11:41:54 -04:00
dbf9c75509 some more atom info in "info system" 2024-08-08 11:22:02 -04:00
eac7c6a8ed rephrase 2024-08-08 11:12:30 -04:00
6f3056511b follow common convention for manual pages documenting multiple styles 2024-08-08 05:00:01 -04:00
45e90ac2f8 must not access thermo class, if not yet created 2024-08-08 04:37:59 -04:00
b9e7c9534b switch branch 2024-08-07 22:47:25 -04:00
da26b69d8d partial implementation of wizards to start tutorials 2024-08-07 22:44:10 -04:00