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4f34c4374b
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Merge pull request #3053 from stanmoore1/kk_desul
Enable Kokkos Desul atomics in Makefile to match CMake settings
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2021-12-11 06:12:50 -05:00 |
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62f5f4d126
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Merge remote-tracking branch 'github/develop' into fmt_upgrade
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2021-12-10 23:04:58 -05:00 |
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abd3df0c5a
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Merge pull request #3040 from akohlmey/collected-small-changes
Collected small changes and bugfixes
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2021-12-10 15:51:13 -05:00 |
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fc64fca3d9
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Whitespace
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2021-12-10 13:34:38 -07:00 |
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6bd3ddf908
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Don't use fetch variant of atomic if not needed
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2021-12-10 13:27:57 -07:00 |
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e49b7d0514
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Remove atomics for error/warning flags since they are not needed
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2021-12-10 13:14:12 -07:00 |
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0ab0e2747c
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Update comment
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2021-12-10 12:15:10 -07:00 |
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7aeab56eb2
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Enable Kokkos Desul atomics in Makefile to match CMake settings
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2021-12-10 12:09:32 -07:00 |
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fa8e2ccee8
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Merge pull request #2958 from jddietz/nm_split_styles
nm split styles
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2021-12-10 13:42:31 -05:00 |
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668d7805d6
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Fixes to doc
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2021-12-10 11:34:12 -07:00 |
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5ead32f886
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more debugging and features
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2021-12-10 11:13:06 -07:00 |
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439853c4a8
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Moving store/local to an internal fix
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2021-12-10 10:33:52 -07:00 |
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6140503158
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update local/density examples to follow conventions more closely
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2021-12-10 08:50:58 -05:00 |
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14fc42833f
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modernize potential file reader for local/density
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2021-12-10 08:45:01 -05:00 |
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e51fd40547
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correct names of the pack/unpack routines for forward communication
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2021-12-09 18:33:13 -05:00 |
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3fc0ea3e80
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correct names of the pack/unpack routines for forward communication
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2021-12-09 18:30:54 -05:00 |
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a975d0506a
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update examples for pair style local/density
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2021-12-09 18:21:32 -05:00 |
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e1e46b5322
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Merge pull request #3033 from rbberger/unittest_tags
Add tags to force-style unit tests
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2021-12-09 18:11:08 -05:00 |
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146c6fe5ff
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remove check that is no longer needed
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2021-12-09 18:08:43 -05:00 |
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0e4e830c79
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document "slow" and "unstable" labels for unit tests
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2021-12-09 17:02:20 -05:00 |
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0d44c56ccc
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use comma consistently
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2021-12-09 15:50:57 -05:00 |
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7d48324f51
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tweak force test settings
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2021-12-09 15:48:24 -05:00 |
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facb49fc27
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disallow reset_timestep for time averaging fixes
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2021-12-09 15:09:42 -05:00 |
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878dd746db
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reduce warnings and improve portability
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2021-12-09 13:55:53 -05:00 |
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e2969d09e1
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bug fix for fix dt/reset freq of 1
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2021-12-09 11:53:47 -07:00 |
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754610b9ee
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Merge pull request #3041 from oywg11/modified-sw-potential
A modified Stillinger-Weber potential for transition metal dichalcogenide
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2021-12-09 09:43:49 -05:00 |
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455cb09cf4
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Adding compatability with MC fixes, set_array to property/atom, faster update/special/bonds, single methods, and misc small changes
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2021-12-08 16:47:42 -07:00 |
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d4149e9139
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bug fixes to make a series of test inputs run correctly
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2021-12-08 16:44:51 -07:00 |
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62f271658b
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correct setting forward/reverse buffer size info
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2021-12-08 13:58:12 -05:00 |
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8f0dea91c7
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correct setting forward/reverse buffer size info
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2021-12-08 13:54:47 -05:00 |
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0aa742934f
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correct docs for pair style local/density
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2021-12-08 00:51:52 -05:00 |
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a26a709a7b
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correct handling of data packing for forward and reverse communication
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2021-12-08 00:51:52 -05:00 |
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a5ee7ca73f
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make certain did_mix is initialized
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2021-12-08 00:51:04 -05:00 |
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bea273fc3a
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correct docs for pair style local/density
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2021-12-08 00:22:37 -05:00 |
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40c04a210b
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correct handling of data packing for forward and reverse communication
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2021-12-08 00:22:36 -05:00 |
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021f6832d5
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adjust epsilon for -std=c++14 and add more unstable tags
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2021-12-07 17:11:29 -05:00 |
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26492b13d5
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logic for dumps every steps and time delta
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2021-12-07 13:46:36 -07:00 |
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5cee58a9c8
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Merge pull request #3049 from Ruyk/sycl-pinned-host
Use SYCL pinned host memory from Kokkos.
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2021-12-07 14:07:58 -05:00 |
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605d2b7ab2
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Use SYCL pinned host memory from Kokkos.
Depends on this PR from Kokkos:
https://github.com/kokkos/kokkos/pull/4268/
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2021-12-07 16:49:27 +00:00 |
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1afdd3c011
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new output vars for dumps
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2021-12-07 09:16:19 -07:00 |
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a323b00fef
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Merge branch 'develop' into unittest_tags
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2021-12-07 10:24:46 -05:00 |
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f3eac179e6
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Expanding broken bonds documentation, adding support for more create/delete bond commands, misc small edits
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2021-12-06 17:27:25 -07:00 |
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ac57c44552
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update unit test for renamed bond style
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2021-12-06 16:35:20 -05:00 |
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6314290558
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clarify docs for bond style fene/nm/split and rename to fene/nm
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2021-12-06 16:21:12 -05:00 |
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021a59965e
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convert to ASCII
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2021-12-06 15:54:34 -05:00 |
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f88009c626
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correct comments
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2021-12-06 15:50:16 -05:00 |
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fa913c3e5b
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clarify r_0 versus sigma
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2021-12-06 15:50:09 -05:00 |
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a84c0a43bd
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address spelling issues
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2021-12-06 15:35:32 -05:00 |
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c48810c545
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whitespace
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2021-12-06 15:29:23 -05:00 |
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ef186d9628
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Updated pair_nm.rst
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2021-12-06 15:09:45 -05:00 |
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