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92f078cfff
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nicer typesetting of "none, zero, hybrid" potential styles in commands lists
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2019-06-04 22:29:25 -04:00 |
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708052dc81
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reaxc/qeq optimization - using kokkos hierarchical parallelism
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2019-06-04 14:22:43 -07:00 |
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0849e03d1b
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Merge pull request #1490 from akohlmey/next_version
Step version number for stable release
patch_5Jun2019
stable_5Jun2019
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2019-06-04 15:23:13 -04:00 |
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045c312c49
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Merge pull request #1489 from akohlmey/cmake-2.8-compatibility
Change test for OpenMP default setting to be compatible with CMake 2.8.x
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2019-06-04 11:03:22 -04:00 |
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47c6cd86f2
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Merge pull request #1477 from jrgissing/bond/react-reaction_topology_overflow
Implement fix bond/react reaction topology overflow checks
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2019-06-04 11:02:57 -04:00 |
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27cd78b96d
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Merge pull request #1488 from akohlmey/doc-removed-features
Document removed features
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2019-06-03 22:58:20 -04:00 |
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dd97a7540e
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Merge pull request #1486 from sstrong99/patch-1
Fix error in E3B documentation
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2019-06-03 22:58:02 -04:00 |
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272c536326
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use 3 letters for month only
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2019-06-03 22:52:40 -04:00 |
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0b13fbe733
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step version number for stable release
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2019-06-03 22:47:44 -04:00 |
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960a975e2a
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Added compact arrays, removed unused openmp stuff
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2019-06-03 19:50:40 -06:00 |
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021f0c1fc6
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use consistent variable evaluation in if()
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2019-06-03 19:50:48 -04:00 |
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5d96ecff25
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fix typo
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2019-06-03 19:44:40 -04:00 |
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c76b79f021
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chance test for OpenMP default setting to be compatible with CMake 2.8.x
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2019-06-03 19:36:28 -04:00 |
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a981626948
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mention restart2data as removed feature as well
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2019-06-03 09:01:22 -04:00 |
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5f79a9ef80
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mention dummy commands with error messages that have been added instead of removed commands
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2019-06-02 21:51:06 -04:00 |
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674e3975a8
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add section to the Commands chapter listing and explaining removed packages and styles
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2019-06-02 21:47:29 -04:00 |
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d0286b3de1
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remove mention of USER-CUDA package and fix typo
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2019-06-02 20:19:17 -04:00 |
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983f3adbb4
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bond/react doc final touches
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2019-06-02 12:35:38 -06:00 |
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58a88dff95
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bond/react doc correction
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2019-06-02 12:10:43 -06:00 |
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0ba38aa072
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bond/react doc tweak
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2019-06-02 12:05:01 -06:00 |
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2e63280f87
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Update fix_bond_react.txt
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2019-06-02 11:54:31 -06:00 |
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68eab23cf8
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bond/react: doc clarification
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2019-06-01 16:24:37 -06:00 |
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3b7c15a8b2
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Merging to stay up-to-date
Merge remote-tracking branch 'lammps_upstream/master' into log_spacing
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2019-06-01 10:33:27 +05:30 |
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6175f2dce8
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Fix error in E3B documentation
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2019-05-31 15:03:04 -05:00 |
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dc1e31506e
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Merge pull request #1480 from akohlmey/next_version
Step version string for next release
patch_31May2019
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2019-05-31 14:40:13 -04:00 |
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68d69955d0
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fix off-by-one error
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2019-05-31 14:38:12 -04:00 |
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5f657b9184
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step version string for next release
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2019-05-31 14:37:31 -04:00 |
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76900b8325
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avoids the possibility of undefined behavior with memcpy having the same source and destination arrays; this is not every instance of this issue in the source code
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2019-05-31 11:53:58 -06:00 |
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3e4fd3dade
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Merge pull request #1484 from akohlmey/reneighbor-64-bit-restart-fix
Restart updates for fixes atom/swap, deposit, and gcmc
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2019-05-31 13:05:53 -04:00 |
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3e05b983c1
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Merge pull request #1483 from akohlmey/cmake-workaround-for-gcc-9
Do not enable OpenMP by default for gcc 9.x with CMake
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2019-05-31 13:05:37 -04:00 |
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d8a30a9697
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Merge pull request #1475 from akohlmey/collected-small-changes
Collected small changes for stable release
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2019-05-31 13:05:21 -04:00 |
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972a7a5c4d
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add false positive for spell checking
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2019-05-31 05:58:47 -04:00 |
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311aebf7ff
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Update Errors_warnings.txt
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2019-05-30 23:30:35 -06:00 |
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16a254f6bd
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Update Errors_messages.txt
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2019-05-30 23:29:43 -06:00 |
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80d906d445
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bond/react: update error messages
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2019-05-30 23:27:23 -06:00 |
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8b169d97f5
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update documentation for updates to fix restarting
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2019-05-31 00:58:10 -04:00 |
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f73c848ee4
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detect and error out when timestep was reset when restarting fixes atom/swap, gcmc, or deposit
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2019-05-31 00:31:36 -04:00 |
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4243af30d7
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properly store 64-bit integers for next_reneighbor into double type buffers for restarts of fixes
also store number of attemps and number of successes in restart and retrieve those from it
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2019-05-31 00:23:12 -04:00 |
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9d51ee17b0
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change the default for gcc 9.x and beyond to not enable OpenMP by default even if it is found to be supported
this is so that using CMake by default will compile LAMMPS, since gcc 9.x
expects different sharing semantics for constants than previous versions.
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2019-05-30 22:23:50 -04:00 |
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c903a110fe
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fix typo
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2019-05-30 18:36:09 -04:00 |
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02e7dd5716
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also allow %e in format variables of suffix
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2019-05-30 14:52:26 -04:00 |
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1a5c3c6dcb
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add check that allows only %f and %g conversions in variable format strings
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2019-05-30 14:46:07 -04:00 |
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daac3f7102
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Merge pull request #1419 from akohlmey/report-uninstalled-pkg-style
Improved error messages when a style is not found
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2019-05-30 06:34:56 -04:00 |
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3bf0a4ba63
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Merge pull request #1474 from stanmoore1/nl_mem
Don't reallocate views every time in neigh_bond_kokkos
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2019-05-30 06:30:54 -04:00 |
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9cc16c4f33
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Merge pull request #1479 from akohlmey/fixup_pair_quip
Correctly and fully support pair style hybrid and hybrid/overlay for pair style quip
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2019-05-30 06:30:10 -04:00 |
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8dcd6fc48c
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provide alternative to gettimeofday() for MSVC compilation
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2019-05-29 20:13:26 -04:00 |
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a48f1cbf00
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fix spelling error
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2019-05-29 20:07:00 -04:00 |
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d3cbccff35
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whitespace cleanup
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2019-05-29 14:42:18 -04:00 |
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29d36ffec0
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error out when not using metal units with QUIP
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2019-05-29 14:40:09 -04:00 |
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fec2f8f69b
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update docs for fully supporting hybrid styles
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2019-05-29 14:39:45 -04:00 |
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