Commit Graph

23522 Commits

Author SHA1 Message Date
a9b27caf17 Merge branch 'master' into progguide-axel 2020-09-30 19:57:20 -04:00
38d954e038 Update the text to mention returning the handle instead of passing it as an argument. 2020-09-30 19:54:07 -04:00
0d9a2808b4 Merge branch 'progguide-updates' of github.com:lammps/lammps into progguide-axel 2020-09-30 19:50:00 -04:00
6928e79883 Merge pull request #2395 from rbberger/collected-small-fixes
Fixes issues found via Static Code Analysis and from bug reports
2020-09-30 19:23:52 -04:00
4b71e1cbda initial library doc page edits 2020-09-30 15:37:11 -06:00
cbc529881c support hybrid atom styles in in fix propel/self 2020-09-30 14:07:46 -04:00
23279836c9 Invalidate pointer after deallocation 2020-09-30 09:10:40 -04:00
d84300a3ac do not fail when looking for gzip or ffmpeg executables when cross compiling to windows 2020-09-30 00:05:15 -04:00
555fba1e4b add special case for windows installer package where the .dll file is in the bin folder 2020-09-29 18:46:32 -04:00
e4cfb91169 discuss that USER-MESONT package potentials are not bundled and provide URL 2020-09-29 16:57:19 -04:00
0ed935ab76 silence compiler warning on windows 2020-09-29 11:19:12 -04:00
54c4b95c4d small format tweak 2020-09-28 14:09:03 -04:00
e0e4e516fc Merge pull request #2396 from akohlmey/openmp-compat-auto
Autodetect OpenMP compatibility setting for known compiler signatures
2020-09-28 13:14:13 -04:00
25bda86ad0 fix typo 2020-09-28 12:52:32 -04:00
d8b55ecd65 Merge pull request #2397 from akohlmey/remove-cilk-array-notation
Remove specializations using cilk array notation from USER-INTEL
2020-09-28 11:56:02 -04:00
405c1b98c5 remove inactive code and documentation for dump image persp option 2020-09-28 08:19:26 -04:00
d868271b01 remove unneeded escapes from input examples 2020-09-28 07:52:38 -04:00
407f445753 remove specializations using cilk array notation 2020-09-28 07:32:11 -04:00
c626208c80 avoid failure with Intel compilers 2020-09-27 19:05:58 -04:00
9d39587d37 expand c-library properties example 2020-09-27 19:05:40 -04:00
fdbdd26585 include intel fortran compiler into intel cmake preset 2020-09-26 22:30:21 -04:00
b11b420b08 small doc update for singularity 2020-09-26 22:30:05 -04:00
d23f7d14c9 typo 2020-09-25 22:20:31 -04:00
7e68746ebe use safe reader function 2020-09-25 22:16:19 -04:00
adef7d4e18 need to check for nthreads < 1 only if OpenMP is enabled 2020-09-25 22:14:21 -04:00
909960514a avoid unneeded division 2020-09-25 22:10:51 -04:00
6967522a4f fix logic error 2020-09-25 22:08:28 -04:00
172bb6050a use safe read function 2020-09-25 22:08:22 -04:00
a963e85846 remove dead code 2020-09-25 21:50:53 -04:00
66c4627775 Merge branch 'collected-small-fixes' of github.com:rbberger/lammps into collected-small-changes 2020-09-25 18:14:50 -04:00
2ffa50f2f8 fix memory leak 2020-09-25 18:13:52 -04:00
ab08a27731 correct data layout for creating integrate style 2020-09-25 18:00:47 -04:00
bd60174fd3 fix argument dimensions 2020-09-25 18:00:19 -04:00
c0384eb264 update code owners 2020-09-25 17:52:51 -04:00
c496b18a9d avoid memory leak 2020-09-25 17:50:02 -04:00
d1321a0860 fix argument dimensions 2020-09-25 17:49:52 -04:00
e378532003 avoid 32-bit integer overflow 2020-09-25 17:31:49 -04:00
5e110fe707 update docs for autodetected OpenMP compatibility 2020-09-25 16:45:39 -04:00
5489c64aef remove trailing whitespace 2020-09-25 16:32:54 -04:00
2e67aa6b47 autodetect OpenMP 4.0 semantic compatibility if not explicitly set 2020-09-25 16:31:45 -04:00
cc5ef652e4 move Using Python with LAMMPS to programmer guide and integrate python module docs 2020-09-25 15:13:05 -04:00
0ffb2ce09c move Tutorials to bottom of Howto section 2020-09-25 15:12:31 -04:00
5e6d222d29 fix up a few internal references 2020-09-25 14:04:44 -04:00
495438105f mass renaming of programmer guide files 2020-09-25 13:59:29 -04:00
9a523fef65 add bibliography 2020-09-25 13:48:22 -04:00
089e55cc37 fix typo 2020-09-25 13:48:05 -04:00
26ad664079 Avoid string duplication and remove memory leak 2020-09-25 13:44:28 -04:00
7a35f786fb tweak button size setting for active state, too. 2020-09-24 16:56:05 -04:00
28812b1ea7 Merge pull request #2381 from akohlmey/collected-small-changes
Collected small changes
2020-09-24 16:17:28 -04:00
08270c3498 update container descriptions 2020-09-24 02:17:26 -04:00