Commit Graph

40093 Commits

Author SHA1 Message Date
f36f3ca26b make index single column 2024-08-14 12:18:26 -04:00
9b97e37f72 strip off common namespace components from index entries 2024-08-14 12:18:17 -04:00
9144f7abcf populate dump style index by moving commands off of commands_list.rst 2024-08-14 11:06:35 -04:00
6a91f2ec67 bibliography cleanup 2024-08-14 10:32:46 -04:00
9e6715504b fix typo and reformat 2024-08-14 06:59:57 -04:00
e0dad96e53 a couple more doc tweaks 2024-08-14 06:44:44 -04:00
7ecdea20eb fix issue with pair style srp that broke regression test 2024-08-14 05:16:45 -04:00
e1a0cc29be docs: update build section 2024-08-14 00:42:36 -06:00
cf0bc0e6bb docs: update install section 2024-08-14 00:03:10 -06:00
a7df221b14 correct indentation to comply with sphinx requirements 2024-08-14 01:46:18 -04:00
511b642a60 use math environments to typeset math expressions. make consistent. 2024-08-14 01:44:17 -04:00
308ecaef1c more doc reformatting 2024-08-14 01:34:42 -04:00
3c0397f8b9 Edits to modify doc files 2024-08-13 20:17:26 -06:00
5a55ca39bc convert lists with global values from fixes to use automatic numbering 2024-08-13 20:59:57 -04:00
4d1632b9f7 small doc fixes 2024-08-13 20:47:46 -04:00
35cf16b109 Update pair_srp.cpp 2024-08-13 18:49:53 -04:00
726311f8d2 Update pair_e3b.cpp 2024-08-13 18:48:35 -04:00
3321477c7f misc doc fixes to python section 2024-08-13 16:30:33 -06:00
70384d4344 syntax highlighting updates for added command 2024-08-13 17:57:11 -04:00
09af3e0fac initialize pointers in constructor. removed commented out code 2024-08-13 17:07:28 -04:00
fcaaca8304 step LAMMPS-GUI version to 1.6.8 2024-08-13 16:46:46 -04:00
8dd655dd1c Merge branch 'develop' into type-labels-for-pair_style_commands 2024-08-13 16:19:44 -04:00
5da737fd11 must not set tip4p atom and bond types when restarting from a restart file 2024-08-13 16:07:20 -04:00
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