87501347ad
add minimal unit tests for reading binary dumps
2021-12-11 21:03:32 -05:00
0603dc6323
whitespace
2021-12-11 20:46:24 -05:00
86b696c78c
Merge branch 'develop' into rerun_bin
2021-12-11 20:31:48 -05:00
56fd07d88e
fold native binary reader class in to native reader class
2021-12-11 20:31:44 -05:00
565c8d6589
use fseek to skip bufs
2021-12-11 20:02:32 -05:00
8884acef24
Revert "add to compress read"
...
This reverts commit b22c409079
2021-12-11 19:40:21 -05:00
d7bb9b5f30
reverse clang-format on irrelevant lines
2021-12-11 17:49:29 -05:00
b22c409079
add to compress read
2021-12-11 17:44:41 -05:00
626889f534
move the rb mode to the overloaded open_file function
2021-12-11 17:36:29 -05:00
d59458fa37
clean up commands and documentation
2021-12-11 17:24:27 -05:00
8f99d8d1d9
fix skip bugs
2021-12-11 16:41:13 -05:00
6e05aff3bf
Update CMake utility function get_lammps_version()
...
With the introduction of LAMMPS_UPDATE, version.h is no longer a single line
file. With this change the CMake utility will only process the LAMMPS_VERSION
line. Fixes issue #3038
2021-12-11 15:08:40 -05:00
250a5921a3
move match_field to protected method and format the docstring
2021-12-11 14:25:29 -05:00
2cdafb49a2
remove variable names from func declaration
2021-12-11 14:14:06 -05:00
e9f0351b67
reverse formatting on irrelevant files
2021-12-11 14:10:47 -05:00
eff26ba0b3
add read_buf method and fix bugs in inheritance
2021-12-11 14:02:58 -05:00
b1e7333348
remove wrong compression mode
2021-12-11 12:32:17 -05:00
7ab5d4edd4
add new ReaderNativeBin class
2021-12-11 11:54:21 -05:00
4f34c4374b
Merge pull request #3053 from stanmoore1/kk_desul
...
Enable Kokkos Desul atomics in Makefile to match CMake settings
2021-12-11 06:12:50 -05:00
62f5f4d126
Merge remote-tracking branch 'github/develop' into fmt_upgrade
2021-12-10 23:04:58 -05:00
abd3df0c5a
Merge pull request #3040 from akohlmey/collected-small-changes
...
Collected small changes and bugfixes
2021-12-10 15:51:13 -05:00
fc64fca3d9
Whitespace
2021-12-10 13:34:38 -07:00
6bd3ddf908
Don't use fetch variant of atomic if not needed
2021-12-10 13:27:57 -07:00
e49b7d0514
Remove atomics for error/warning flags since they are not needed
2021-12-10 13:14:12 -07:00
0ab0e2747c
Update comment
2021-12-10 12:15:10 -07:00
7aeab56eb2
Enable Kokkos Desul atomics in Makefile to match CMake settings
2021-12-10 12:09:32 -07:00
fa8e2ccee8
Merge pull request #2958 from jddietz/nm_split_styles
...
nm split styles
2021-12-10 13:42:31 -05:00
5ead32f886
more debugging and features
2021-12-10 11:13:06 -07:00
6140503158
update local/density examples to follow conventions more closely
2021-12-10 08:50:58 -05:00
14fc42833f
modernize potential file reader for local/density
2021-12-10 08:45:01 -05:00
3fc0ea3e80
correct names of the pack/unpack routines for forward communication
2021-12-09 18:30:54 -05:00
a975d0506a
update examples for pair style local/density
2021-12-09 18:21:32 -05:00
e1e46b5322
Merge pull request #3033 from rbberger/unittest_tags
...
Add tags to force-style unit tests
2021-12-09 18:11:08 -05:00
146c6fe5ff
remove check that is no longer needed
2021-12-09 18:08:43 -05:00
0e4e830c79
document "slow" and "unstable" labels for unit tests
2021-12-09 17:02:20 -05:00
0d44c56ccc
use comma consistently
2021-12-09 15:50:57 -05:00
7d48324f51
tweak force test settings
2021-12-09 15:48:24 -05:00
facb49fc27
disallow reset_timestep for time averaging fixes
2021-12-09 15:09:42 -05:00
878dd746db
reduce warnings and improve portability
2021-12-09 13:55:53 -05:00
e2969d09e1
bug fix for fix dt/reset freq of 1
2021-12-09 11:53:47 -07:00
754610b9ee
Merge pull request #3041 from oywg11/modified-sw-potential
...
A modified Stillinger-Weber potential for transition metal dichalcogenide
2021-12-09 09:43:49 -05:00
d4149e9139
bug fixes to make a series of test inputs run correctly
2021-12-08 16:44:51 -07:00
8f0dea91c7
correct setting forward/reverse buffer size info
2021-12-08 13:54:47 -05:00
a5ee7ca73f
make certain did_mix is initialized
2021-12-08 00:51:04 -05:00
bea273fc3a
correct docs for pair style local/density
2021-12-08 00:22:37 -05:00
40c04a210b
correct handling of data packing for forward and reverse communication
2021-12-08 00:22:36 -05:00
021f6832d5
adjust epsilon for -std=c++14 and add more unstable tags
2021-12-07 17:11:29 -05:00
26492b13d5
logic for dumps every steps and time delta
2021-12-07 13:46:36 -07:00
5cee58a9c8
Merge pull request #3049 from Ruyk/sycl-pinned-host
...
Use SYCL pinned host memory from Kokkos.
2021-12-07 14:07:58 -05:00
605d2b7ab2
Use SYCL pinned host memory from Kokkos.
...
Depends on this PR from Kokkos:
https://github.com/kokkos/kokkos/pull/4268/
2021-12-07 16:49:27 +00:00
