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63a4210391
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Fix bug in history
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2022-02-19 08:33:47 -07:00 |
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6acf3c8d2a
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Merge pull request #3138 from wmbrownIntel/intel_skip_fix
Bug fix for Intel package skip lists with multiple runs.
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2022-02-19 05:55:11 -05:00 |
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3ddcd3308f
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Add documentation for bikflag
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2022-02-19 00:46:56 -08:00 |
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d619477195
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Merge remote-tracking branch 'upstream/develop' into chem_snap
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2022-02-19 00:23:30 -08:00 |
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36edecd1e7
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Added in ability to keep bispectrum descriptors per atom instead of summed. (Useful for non linear models)
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2022-02-19 00:20:43 -08:00 |
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7e876ada13
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Merge branch 'develop' into collected-small-changes
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2022-02-18 21:49:13 -05:00 |
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86cb37f7ad
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Merge pull request #3141 from lammps/developer-doc-tweaks
tweaks to 2 sub-sections of Developer manual
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2022-02-18 21:48:29 -05:00 |
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d88ffcf880
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correct file name
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2022-02-18 21:24:02 -05:00 |
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bfea3c4589
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rename .rst file to match headline
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2022-02-18 21:20:35 -05:00 |
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4dad865aea
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small tweaks and spelling fixes
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2022-02-18 21:19:27 -05:00 |
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49c594be10
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add factory function example
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2022-02-18 21:19:06 -05:00 |
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78f7e96a3f
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grammar tweaks to 2 sub-sections of Developer manual
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2022-02-18 16:45:06 -07:00 |
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39f8ccdb42
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Fixing an overlooked merge conflict
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2022-02-18 15:33:26 -07:00 |
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642b1e25f6
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Updating to develop
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2022-02-18 13:58:38 -07:00 |
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0ecb9addb2
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Fix MPI issues
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2022-02-18 10:58:03 -07:00 |
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7087e78138
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Cleanup
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2022-02-18 10:23:34 -07:00 |
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5a95b35fb3
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Adding bondstyle restart and fixing a few labels
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2022-02-18 10:22:08 -07:00 |
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adbbad0c2d
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silence compiler warnings
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2022-02-18 12:13:26 -05:00 |
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c31d79c3a4
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add missing override keywords
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2022-02-18 12:06:06 -05:00 |
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43f5de4dbf
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Give the compiler some help
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2022-02-18 09:57:51 -07:00 |
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8fa297e420
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update comments about building LAMMPS with visual studio
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2022-02-18 11:38:35 -05:00 |
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68dc778d03
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update the note based on the suggestion by @athomps
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2022-02-18 11:38:05 -05:00 |
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b9f5bb60e9
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Fix layout
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2022-02-18 08:08:48 -07:00 |
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4e03589cee
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use symbolic constants and fix out of bound accesses
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2022-02-18 05:07:18 -05:00 |
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9151a2e820
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address unititialized data warnings from coverity scan
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2022-02-18 04:46:30 -05:00 |
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2aff105124
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nicer shake stats output
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2022-02-18 04:24:27 -05:00 |
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537e3f2539
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silence compiler warnings
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2022-02-17 23:13:13 -05:00 |
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d14035eb6b
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Fix bug
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2022-02-17 20:59:36 -07:00 |
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da3c3723bd
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add code to print warning if qeq fix is appled to a non-neutral group. document.
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2022-02-17 22:51:49 -05:00 |
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0cb45ebd6b
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Kokkos QEq refactor
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2022-02-17 16:25:02 -07:00 |
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01bbb28418
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Merge pull request #3135 from akohlmey/next_patch_release
Step version strings for the next patch release
patch_17Feb2022
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2022-02-17 15:05:43 -05:00 |
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7fe194e59e
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Merge pull request #3136 from rbberger/collected-small-changes
Collected small changes
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2022-02-17 13:20:51 -05:00 |
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f3e14e7b00
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Mark MolPairStyle:soft unstable
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2022-02-17 12:58:30 -05:00 |
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7b948e7bb8
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Bug fix for Intel package skip lists with multiple runs.
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2022-02-17 09:37:01 -08:00 |
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45b92e519d
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Merge pull request #3125 from oywg11/ilp-for-tmds
Anisotropic Interlayer potential for TMDs and Metal Surfaces
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2022-02-17 11:42:15 -05:00 |
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d95f0b3cd5
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Adjust epsilon in force-style test
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2022-02-16 17:43:16 -05:00 |
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793d76c546
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Adjust epsilon in force-style tests
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2022-02-16 17:40:34 -05:00 |
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12eeaee8a4
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Correct bug in PairHybridScaled::single
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2022-02-16 13:48:10 -05:00 |
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8b627f92f0
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address spelling and achor issues, and integrate into style overview tables
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2022-02-16 08:10:29 -05:00 |
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78b123fa4d
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apply new convention for virtual functions and disable single() functions (for now)
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2022-02-16 06:50:26 -05:00 |
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47bb5f5ccd
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use a local std::map with initializer to have variant specific strings
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2022-02-16 06:36:17 -05:00 |
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e541f006eb
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replace copies of files with symbolic links
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2022-02-16 06:34:31 -05:00 |
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08968cbdbf
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apply clang-format
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2022-02-16 06:14:19 -05:00 |
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32cde04000
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Merge branch 'develop' into ilp-for-tmds
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2022-02-16 06:04:34 -05:00 |
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6d2f4343d9
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Merge pull request #3133 from stanmoore1/kk_error
Add error if using multiple threads with Kokkos Serial backend
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2022-02-15 22:25:04 -05:00 |
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a7939b582a
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step version strings for the next patch release
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2022-02-15 22:10:06 -05:00 |
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2951eb32a4
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Merge pull request #3134 from rbberger/collected-small-changes
Collected small changes
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2022-02-15 22:05:48 -05:00 |
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55703f9027
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update class instantiation unit test for kokkos to adapt to thread availability
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2022-02-15 21:54:21 -05:00 |
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d4bbb31270
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Improve error check
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2022-02-15 16:04:23 -07:00 |
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ae72356961
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Removed unnecessary declarations in compute_born_matrix numdiff part. Commented virial_addon method.
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2022-02-15 23:26:40 +01:00 |
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