Commit Graph

23186 Commits

Author SHA1 Message Date
4b64be77e0 consolidate memory allocation information into a single function (in Info) 2020-09-15 01:59:58 -04:00
0183e999c9 consistently return "memory_usage" as double. 2020-09-15 01:59:58 -04:00
101d39142e Merge pull request #2357 from akohlmey/lib-get-mpi-comm
Add ability to retrieve the MPI communicator from LAMMPS instance via library/python interface
2020-09-11 11:20:12 -04:00
e813e2d30a add minimal unit test for lammps_get_mpi_comm() API 2020-09-09 22:12:47 -04:00
bd72ef7996 add API to library/python interface to extract the MPI communicator 2020-09-09 22:03:11 -04:00
cdd9d693ad Merge pull request #2349 from akohlmey/more-progguide-updates
More Programmer docs updates and related code refactoring
2020-09-09 14:34:41 -04:00
e238201be5 add a couple more versionadded directives 2020-09-09 13:21:19 -04:00
790b2693ba Merge pull request #2353 from junghans/cmake_clean_up
cmake: consistent usage of find variable
2020-09-09 11:04:13 -04:00
a51bebc9e4 Merge pull request #2340 from rbberger/container_update
Singularity Container definitions update
2020-09-09 09:53:48 -04:00
f4c4c62349 adjust test to updated API 2020-09-09 09:27:34 -04:00
03d43bda3c make "New in" and "Changed in" statements boldface to stand out more 2020-09-09 09:25:58 -04:00
2b854ec64f reformulate 2020-09-09 09:25:34 -04:00
a1cf6c087c no need to use a deprecated argument in a newly added API 2020-09-09 09:06:28 -04:00
2a42fe66ad discuss change to get LAMMPS handle as return value instead of argument 2020-09-09 09:06:00 -04:00
dad749b62b make vget()/vgot() inline functions again for optimal performance. 2020-09-08 20:52:51 -04:00
c818a00523 remove unwanted docs 2020-09-08 16:53:26 -04:00
ea0a9f00e8 swap order of classes in toctree 2020-09-08 16:45:16 -04:00
ca1b5ed936 fix minor issues 2020-09-08 16:43:10 -04:00
daf8a2313a split developer guide into multiple files 2020-09-08 16:38:06 -04:00
ee25ed3897 update/correct documentation for memory pool classes 2020-09-08 16:36:48 -04:00
9f4a991fc5 move over doxygen comments for a few LAMMPS classes 2020-09-08 16:36:29 -04:00
9e47452382 recover compilation for platforms using malloc() instead of posix_memalign() 2020-09-08 15:36:21 -04:00
7a9d31328e remove obsolete comment 2020-09-08 15:29:42 -04:00
9f7e309f07 small updates to MyPage and convert MyPoolChunk similar to MyPage 2020-09-08 15:13:16 -04:00
a3cc7581b1 rename test for memory pools 2020-09-08 15:12:08 -04:00
f72e5b6d13 Typo 2020-09-08 12:52:32 -06:00
b008ba5ecb Merge remote-tracking branch 'origin/master' into cmake_clean_up 2020-09-08 12:51:49 -06:00
9f8b8529b1 Merge pull request #2348 from akohlmey/use-tabs-with-html
Enable sphinx-tabs extension with the html version of the documentation
2020-09-08 12:02:43 -04:00
22fac9affc more doc update 2020-09-08 09:49:07 -06:00
8fb13f4fd1 cmake: make doc more consistent 2020-09-08 09:43:21 -06:00
5df3deb8e6 update/refactor a few more build documentation files for using tabs 2020-09-08 11:40:21 -04:00
09b8b117fc cmake: consistent usage of find variable 2020-09-08 09:35:45 -06:00
88cc673f78 more use of tabs in Build_extras.rst 2020-09-08 10:11:37 -04:00
dd20776915 fix spelling issues 2020-09-07 21:17:56 -04:00
9b01d5bf95 revise and add tabs to some sections 2020-09-07 21:08:47 -04:00
9afba50d01 update for zstd support 2020-09-07 21:00:45 -04:00
f02db43f63 add discussion and minimal code example for MyPage class. 2020-09-07 16:10:48 -04:00
0ee7c5f434 add more MyPage test variants 2020-09-07 15:27:13 -04:00
ab5c81f7d6 refactor some more to reduce redundant code. 2020-09-07 08:57:37 -04:00
bbb81a8dd0 add unit tester for MyPage class 2020-09-07 08:33:05 -04:00
3089205a54 tweak MyPage docs 2020-09-07 08:32:34 -04:00
0447616aaf address spelling issues 2020-09-07 08:03:41 -04:00
f8ebcc90fb define OneCoeff struct in my_page.h as HyperOneCoeff to resolve compilation issues 2020-09-07 07:57:23 -04:00
2270d86519 whitespace cleanup and try to recover legacy build 2020-09-06 22:51:58 -04:00
4ca36d9526 add doxygen docs and convert MyPage template class from header only to header plus implementation 2020-09-06 22:26:17 -04:00
485a169ef2 move merge sort to utils namespace 2020-09-06 17:38:53 -04:00
19ce59ba38 use tabs for CMake vs. GNU make in LAMMPS library linking page 2020-09-06 16:50:28 -04:00
d77f08d5fb tweak formatting to look better in the PDF file 2020-09-06 16:49:58 -04:00
9f24f056ff reformat system sizes information and make explanations more concise 2020-09-06 07:12:43 -04:00
77e22c90ac complete using tab/tabs directives in Build_settings 2020-09-06 06:11:12 -04:00