Commit Graph

6985 Commits

Author SHA1 Message Date
96f4178d92 add URLs to upstream projects for eigensolvers 2020-09-16 17:53:27 -04:00
bd542efa52 include math_eigen.h, remove it from .gitignore 2020-09-16 14:12:14 -04:00
fd9e39bf1a update docs 2020-09-16 14:07:06 -04:00
f5998692d0 Merge branch 'master' into math_eigen 2020-09-15 21:37:05 -04:00
3576464268 Merge branch 'master' into consistent-memory-usage 2020-09-15 12:25:16 -04:00
165444004e Merge pull request #2362 from akohlmey/library-progguide
Updates to C-Library interface progammer guide and reference
2020-09-15 11:51:02 -04:00
c6bc21febf Merge pull request #2361 from akohlmey/collected-small-changes
Collected small changes for the next patch release
2020-09-15 11:28:25 -04:00
4b64be77e0 consolidate memory allocation information into a single function (in Info) 2020-09-15 01:59:58 -04:00
df9f0e244b add false positive 2020-09-14 17:18:14 -04:00
5634dd4394 correct formatting of examples 2020-09-14 17:15:53 -04:00
b1e0990c46 update lammps config settings calls example 2020-09-14 17:11:27 -04:00
f70717710e fix for zstd support. add styles to list at top and document .zst extension requirement 2020-09-14 17:07:09 -04:00
a1b2f82107 test for exceptions add example 2020-09-14 17:01:28 -04:00
50b80e078d Merge pull request #2354 from stanmoore1/qeq_refactor
small fix qeq/reax refactoring for base and accelerated variants
2020-09-14 12:18:32 -04:00
a5740d75cf add missing option 2020-09-14 09:27:49 -04:00
de49325c0f add properties example 2020-09-13 17:00:08 -04:00
b702298e83 fix typo 2020-09-12 19:06:58 -04:00
da0cdb0de4 update formatting of keyword summary 2020-09-12 19:06:30 -04:00
eda04dac98 update conventions and guidelines about C++ standard and requirements 2020-09-12 15:13:23 -04:00
4a8d6016e4 Update docs 2020-09-11 22:49:44 -06:00
612f1d7ce3 fix typo 2020-09-11 17:49:06 -04:00
ded57ba749 move test to avoid issues with indentation from having tabs follow directly a list-table 2020-09-10 16:16:58 -04:00
4452109b60 address spelling issue 2020-09-10 16:15:03 -04:00
0d5f68bc30 make "new in" and "changed in" leads boldface 2020-09-10 16:14:53 -04:00
3d37fd05f4 disable caching - for now - to avoid bad side effects from sphinx-tabs 2020-09-10 16:14:18 -04:00
bd72ef7996 add API to library/python interface to extract the MPI communicator 2020-09-09 22:03:11 -04:00
ed14793c69 moved eigensolver documentation into pg_dev_utils.rst 2020-09-09 14:59:00 -07:00
3bacf97468 Merge branch 'master' into math_eigen 2020-09-09 14:56:28 -07:00
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
03d43bda3c make "New in" and "Changed in" statements boldface to stand out more 2020-09-09 09:25:58 -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
daf8a2313a split developer guide into multiple files 2020-09-08 16:38:06 -04:00
9f7e309f07 small updates to MyPage and convert MyPoolChunk similar to MyPage 2020-09-08 15:13:16 -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
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
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
f02db43f63 add discussion and minimal code example for MyPage class. 2020-09-07 16:10:48 -04:00
0447616aaf address spelling issues 2020-09-07 08:03:41 -04:00
f329d56495 updated pg_developer.rst 2020-09-06 20:12:38 -07:00
a57a1404f3 bug fix fix unit tests, improve doc readability, and to prevent accidentally allocating memory on the heap. (Note: All of these changes are related to "jacobi3()". That function instantiates Jacobi without allocating memory on the heap, and this created some headaches. The original code at https://github/jewettaij/jacobi_pd does not have this feature, and the unit tests there do not test for these kinds of errors. Hopefully this commit fixes everything.) 2020-09-06 20:05:47 -07:00
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