lijiext
/
lammps
mirror of https://github.com/lammps/lammps.git
1
0
Fork 1
Code Issues Packages Projects Releases Wiki Activity
23,185 Commits 9 Branches 202 Tags 1.2 GiB
Commit Graph

23185 Commits

Author SHA1 Message Date
Axel Kohlmeyer c6b6369d2d
fix bug in input script templates that would have the timestep setting overwritten by a units command 2020-09-15 09:46:57 -04:00
Axel Kohlmeyer 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
Axel Kohlmeyer e813e2d30a
add minimal unit test for lammps_get_mpi_comm() API 2020-09-09 22:12:47 -04:00
Axel Kohlmeyer bd72ef7996
add API to library/python interface to extract the MPI communicator 2020-09-09 22:03:11 -04:00
Axel Kohlmeyer 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
Axel Kohlmeyer e238201be5
add a couple more versionadded directives 2020-09-09 13:21:19 -04:00
Axel Kohlmeyer 790b2693ba
Merge pull request #2353 from junghans/cmake_clean_up 
cmake: consistent usage of find variable
 2020-09-09 11:04:13 -04:00
Axel Kohlmeyer a51bebc9e4
Merge pull request #2340 from rbberger/container_update 
Singularity Container definitions update
 2020-09-09 09:53:48 -04:00
Axel Kohlmeyer f4c4c62349
adjust test to updated API 2020-09-09 09:27:34 -04:00
Axel Kohlmeyer 03d43bda3c
make "New in" and "Changed in" statements boldface to stand out more 2020-09-09 09:25:58 -04:00
Axel Kohlmeyer 2b854ec64f
reformulate 2020-09-09 09:25:34 -04:00
Axel Kohlmeyer a1cf6c087c
no need to use a deprecated argument in a newly added API 2020-09-09 09:06:28 -04:00
Axel Kohlmeyer 2a42fe66ad
discuss change to get LAMMPS handle as return value instead of argument 2020-09-09 09:06:00 -04:00
Axel Kohlmeyer dad749b62b
make vget()/vgot() inline functions again for optimal performance. 2020-09-08 20:52:51 -04:00
Axel Kohlmeyer c818a00523
remove unwanted docs 2020-09-08 16:53:26 -04:00
Axel Kohlmeyer ea0a9f00e8
swap order of classes in toctree 2020-09-08 16:45:16 -04:00
Axel Kohlmeyer ca1b5ed936
fix minor issues 2020-09-08 16:43:10 -04:00
Axel Kohlmeyer daf8a2313a
split developer guide into multiple files 2020-09-08 16:38:06 -04:00
Axel Kohlmeyer ee25ed3897
update/correct documentation for memory pool classes 2020-09-08 16:36:48 -04:00
Axel Kohlmeyer 9f4a991fc5
move over doxygen comments for a few LAMMPS classes 2020-09-08 16:36:29 -04:00
Axel Kohlmeyer 9e47452382
recover compilation for platforms using malloc() instead of posix_memalign() 2020-09-08 15:36:21 -04:00
Axel Kohlmeyer 7a9d31328e
remove obsolete comment 2020-09-08 15:29:42 -04:00
Axel Kohlmeyer 9f7e309f07
small updates to MyPage and convert MyPoolChunk similar to MyPage 2020-09-08 15:13:16 -04:00
Axel Kohlmeyer a3cc7581b1
rename test for memory pools 2020-09-08 15:12:08 -04:00
Christoph Junghans f72e5b6d13 Typo 2020-09-08 12:52:32 -06:00
Christoph Junghans b008ba5ecb Merge remote-tracking branch 'origin/master' into cmake_clean_up 2020-09-08 12:51:49 -06:00
Axel Kohlmeyer 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
Christoph Junghans 22fac9affc more doc update 2020-09-08 09:49:07 -06:00
Christoph Junghans 8fb13f4fd1 cmake: make doc more consistent 2020-09-08 09:43:21 -06:00
Axel Kohlmeyer 5df3deb8e6
update/refactor a few more build documentation files for using tabs 2020-09-08 11:40:21 -04:00
Christoph Junghans 09b8b117fc cmake: consistent usage of find variable 2020-09-08 09:35:45 -06:00
Axel Kohlmeyer 88cc673f78
more use of tabs in Build_extras.rst 2020-09-08 10:11:37 -04:00
Axel Kohlmeyer dd20776915
fix spelling issues 2020-09-07 21:17:56 -04:00
Axel Kohlmeyer 9b01d5bf95
revise and add tabs to some sections 2020-09-07 21:08:47 -04:00
Axel Kohlmeyer 9afba50d01
update for zstd support 2020-09-07 21:00:45 -04:00
Axel Kohlmeyer f02db43f63
add discussion and minimal code example for MyPage class. 2020-09-07 16:10:48 -04:00
Axel Kohlmeyer 0ee7c5f434
add more MyPage test variants 2020-09-07 15:27:13 -04:00
Axel Kohlmeyer ab5c81f7d6
refactor some more to reduce redundant code. 2020-09-07 08:57:37 -04:00
Axel Kohlmeyer bbb81a8dd0
add unit tester for MyPage class 2020-09-07 08:33:05 -04:00
Axel Kohlmeyer 3089205a54
tweak MyPage docs 2020-09-07 08:32:34 -04:00
Axel Kohlmeyer 0447616aaf
address spelling issues 2020-09-07 08:03:41 -04:00
Axel Kohlmeyer f8ebcc90fb
define OneCoeff struct in my_page.h as HyperOneCoeff to resolve compilation issues 2020-09-07 07:57:23 -04:00
Axel Kohlmeyer 2270d86519
whitespace cleanup and try to recover legacy build 2020-09-06 22:51:58 -04:00
Axel Kohlmeyer 4ca36d9526
add doxygen docs and convert MyPage template class from header only to header plus implementation 2020-09-06 22:26:17 -04:00
Axel Kohlmeyer 485a169ef2
move merge sort to utils namespace 2020-09-06 17:38:53 -04:00
Axel Kohlmeyer 19ce59ba38
use tabs for CMake vs. GNU make in LAMMPS library linking page 2020-09-06 16:50:28 -04:00
Axel Kohlmeyer d77f08d5fb
tweak formatting to look better in the PDF file 2020-09-06 16:49:58 -04:00
Axel Kohlmeyer 9f24f056ff
reformat system sizes information and make explanations more concise 2020-09-06 07:12:43 -04:00
Axel Kohlmeyer 77e22c90ac
complete using tab/tabs directives in Build_settings 2020-09-06 06:11:12 -04:00
Axel Kohlmeyer 5536c1e6ee
make more compact 2020-09-06 06:10:39 -04:00