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 |