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dc241abb85
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Merge pull request #2305 from akohlmey/next_patch_version
Update version strings for updated patch release
patch_24Aug2020
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2020-08-24 13:46:50 -04:00 |
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93e4ed9770
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Merge pull request #2304 from akohlmey/collected-small-changes
Collected small changes for the next patch release
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2020-08-24 11:43:42 -04:00 |
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7e1a3bd4d5
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Merge pull request #2302 from akohlmey/consistent-doc-headers
Consistent subsection headers for commands
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2020-08-24 10:52:09 -04:00 |
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47a44732e7
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add test for fix restrain
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2020-08-23 15:29:58 -04:00 |
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8f5e8300ea
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fix typos in fix restrain docs
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2020-08-23 15:29:49 -04:00 |
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fb634658de
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add tests for a few more force manipulation fixes
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2020-08-23 07:01:38 -04:00 |
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c503bba008
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add custom pair style tests for reax/c and edip/multi
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2020-08-23 06:44:33 -04:00 |
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0fb8f6e779
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add test for pair style momb
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2020-08-22 23:15:20 -04:00 |
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66b17fd2ce
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dispersion only tests for buckingham
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2020-08-22 23:03:20 -04:00 |
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3def826dbe
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add more tests for variants using long-range dispersion pair styles
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2020-08-22 22:55:15 -04:00 |
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f18d0507b3
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fix issues with lj/long pair styles when not using long-range for dispersion
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2020-08-22 22:54:38 -04:00 |
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c8f2634b44
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add tests for tabulated msm coulomb
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2020-08-22 22:08:08 -04:00 |
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e78100bdba
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add (partial) tests for pair styles dpd and dpd/tstat
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2020-08-22 22:00:13 -04:00 |
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2907a10937
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update version strings for new attempt for a patch release
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2020-08-22 16:42:39 -04:00 |
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1879106cc3
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Merge pull request #2299 from rbberger/doc_file_size
Avoids HTML doc pages from becoming too large
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2020-08-22 15:45:06 -04:00 |
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9152a8e98f
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avoid division by zero in imaging code
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2020-08-22 15:32:04 -04:00 |
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2fd654f4fd
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silence compiler warnings about unused variables
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2020-08-22 15:06:00 -04:00 |
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86153a0f77
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avoid division by zero in MathExtra normalize functions
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2020-08-22 15:03:27 -04:00 |
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9136f9b9c9
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Merge pull request #2303 from rbberger/binary2txt_bug
Fixes a bug in binary2txt
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2020-08-22 14:46:29 -04:00 |
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f82b19e21f
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Fix off-by-one mistake, Fixes #2300
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2020-08-22 12:03:24 -04:00 |
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b776e1ee3c
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convert remaining style doc sections to be a logical header
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2020-08-21 23:33:41 -04:00 |
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66438539f2
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Avoids HTML doc pages from becoming too large
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2020-08-21 19:47:46 -04:00 |
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2a6546d6f0
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Merge pull request #2296 from akohlmey/next_patch_version
Update version strings for next patch release
patch_21Aug2020
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2020-08-21 14:43:56 -04:00 |
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cffc667259
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Merge pull request #2298 from stanmoore1/mv2_var
Fix MVAPICH2 env variable for CUDA/aware
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2020-08-21 14:04:57 -04:00 |
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e0c74a30bc
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Fix MV2 env variable
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2020-08-21 11:08:49 -06:00 |
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7f87ccccc8
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Merge branch 'collected-small-changes' into next_patch_version
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2020-08-21 11:18:10 -04:00 |
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3c7d59401c
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Merge pull request #2107 from junghans/offline_gtest
cmake: allow to overwrite GTest URL for offline machines
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2020-08-21 10:57:08 -04:00 |
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19c1fa8c94
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need to re-initialize lattice variable after new lattice command
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2020-08-21 01:01:12 -04:00 |
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4c46119a48
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Merge pull request #2280 from lammps/gridcomm-tiled
Support for tiled decompositions in PPPM
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2020-08-21 00:16:20 -04:00 |
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42018d3b35
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add dispersion only kspace style tests
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2020-08-20 23:42:23 -04:00 |
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3183af9b85
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fix a few more initialization issues in pppm/disp and pppm/disp/intel
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2020-08-20 23:42:00 -04:00 |
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2855f04363
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tweak output format
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2020-08-20 23:41:32 -04:00 |
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deb24626d1
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fix gc vs. gc6 issues in fix pppm/disp
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2020-08-20 22:45:37 -04:00 |
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0440b13a6d
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fix memory leaks
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2020-08-20 22:27:15 -04:00 |
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17a9612126
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fix pppm/disp initialization issues
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2020-08-20 22:17:32 -04:00 |
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0a042be6b8
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fix another pppm/disp bug for dispersion-only runs
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2020-08-20 22:11:06 -04:00 |
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e7639d4951
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Merge pull request #2297 from akohlmey/more-fix-tests
Add a few more unit tests for fixes and fix some issues related to it
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2020-08-20 20:18:09 -04:00 |
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287112761c
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tweak load balancing output format
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2020-08-20 18:51:28 -04:00 |
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a742db2369
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add a couple of kspace tests using tiled communication
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2020-08-20 18:08:10 -04:00 |
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398e929400
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Merge branch 'master' into gridcomm-tiled
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2020-08-20 17:58:35 -04:00 |
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4fde9022a3
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remove tabs
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2020-08-20 17:54:26 -04:00 |
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a70a5be2d8
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Merge pull request #2289 from akohlmey/reduce-kokkos-compiler-warnings
Reduce compiler warnings in KOKKOS package
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2020-08-20 17:52:07 -04:00 |
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203ab71b62
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Merge branch 'master' into gridcomm-tiled
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2020-08-20 17:00:55 -04:00 |
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c513b60f97
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Merge branch 'reduce-kokkos-compiler-warnings' of github.com:akohlmey/lammps into reduce-kokkos-compiler-warnings
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2020-08-20 16:59:46 -04:00 |
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f3b0bf8a33
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Merge branch 'master' into reduce-kokkos-compiler-warnings
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2020-08-20 16:59:31 -04:00 |
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cd7ba1d007
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Merge branch 'master' into more-fix-tests
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2020-08-20 16:41:29 -04:00 |
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f0335fabb1
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Merge pull request #2295 from akohlmey/add-fix-momentum-chunk
Add fix momentum/chunk
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2020-08-20 16:40:51 -04:00 |
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d6b19b80d0
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Make all Kokkos functors structs
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2020-08-20 13:52:53 -06:00 |
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17b998edb3
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fix whitespace issue
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2020-08-20 15:51:41 -04:00 |
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5306b39251
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add tests for a few more wall fixes
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2020-08-20 15:42:00 -04:00 |
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