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ef40448df6
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update docs for CMake 3.16 requirement
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2023-07-01 03:01:37 -04:00 |
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4a46083e88
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add git commit descriptor to LAMMPS version output
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2023-06-30 23:29:17 -04:00 |
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b50fc0be78
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remove obsolete CONFIGURE_DEPENDS backward compatibility hack
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2023-06-30 23:19:53 -04:00 |
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71b48253e8
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remove special case CMake code for versions before 3.16
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2023-06-30 23:15:37 -04:00 |
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378ef4b23e
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require CMake version 3.16
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2023-06-30 22:59:41 -04:00 |
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c5d9f901d9
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Merge pull request #3829 from JohnLucas1/fixpair_bugfix
fix pair bugfix
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2023-06-19 15:13:39 -04:00 |
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104d175a85
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Merge pull request #3822 from ilia-nikiforov-umn/patch-1
Update lib/kim/README
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2023-06-19 14:39:43 -04:00 |
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585e47c01a
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Merge pull request #3826 from srtee/patch-3
debug fix_modify press for press/berendsen
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2023-06-19 14:25:49 -04:00 |
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f5d9e78659
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Merge pull request #3819 from stanmoore1/kk_sycl
Pair SNAP tuning for Kokkos SYCL
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2023-06-19 14:25:14 -04:00 |
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d6f93a5253
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Merge pull request #3821 from stanmoore1/kk_npair_workaround
Temporarily disable team policy for Kokkos ghost neigh list build due to kno…
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2023-06-19 14:24:48 -04:00 |
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c08182801f
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Merge pull request #3825 from akohlmey/remove-obsolete-fortran-interface
Remove obsolete fortran interfaces
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2023-06-19 14:20:35 -04:00 |
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0adb355001
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Merge pull request #3823 from akohlmey/collected-small-fixes
Collected small fixes
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2023-06-19 14:04:55 -04:00 |
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542aa203da
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correct typo in fix pair documentation
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2023-06-18 20:42:45 -05:00 |
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6ccf5f107c
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fix a bug in fix pair
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2023-06-18 20:39:18 -05:00 |
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21fb50f37b
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correct logic bug
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2023-06-18 07:40:04 -04:00 |
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2cea819e7f
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cosmetic
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2023-06-18 07:24:42 -04:00 |
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5196e4422b
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debug fix_modify press for press/berendsen
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2023-06-18 17:51:15 +10:00 |
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70823cac50
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remove dead code
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2023-06-17 23:30:36 -04:00 |
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e2e9170dfa
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protect a couple more fixes from segfaults from errors in derived classes
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2023-06-17 18:52:57 -04:00 |
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753a0bd386
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remove obsolete Fortran interfaces from examples/COUPLE folder
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2023-06-17 18:31:11 -04:00 |
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5eba9d7ee3
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update regex for change to version output
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2023-06-17 18:04:54 -04:00 |
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f193a87426
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correct CMake syntax
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2023-06-17 18:04:38 -04:00 |
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058d817335
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whitespace
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2023-06-17 17:45:16 -04:00 |
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a3de790a0d
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include git descriptor info when compiling develop or maintenance version
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2023-06-17 15:01:17 -04:00 |
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9231ec6dbe
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avoid segfault on deleting callback when there is an error in the constructor or a derived class
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2023-06-17 14:39:32 -04:00 |
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37ca3f9af8
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apply clang-format
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2023-06-17 14:38:59 -04:00 |
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60d060eeb1
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fix logic bug
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2023-06-17 14:38:49 -04:00 |
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ce75691eae
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address issues flagged by coverity scan
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2023-06-17 00:35:05 -04:00 |
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6f5e5746b3
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Update lib/kim/README
Fix some typos and update to non-deprecated form of kim commands
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2023-06-16 12:21:42 -05:00 |
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2d3bbd2e72
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Temporarily disable team policy for ghost neigh list build due to known bug
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2023-06-16 10:52:21 -06:00 |
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bb9dc960b7
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Use updated values from @cjknight
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2023-06-16 10:26:01 -06:00 |
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a20ed8e5e4
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improve error messages for dump style custom
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2023-06-16 12:13:22 -04:00 |
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59c5ed63e3
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programming style
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2023-06-16 12:12:23 -04:00 |
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74c4eb1063
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indicate that LAMMPS was built from a development version
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2023-06-16 12:12:12 -04:00 |
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9673c22cc7
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Merge pull request #3818 from akohlmey/next_release
Update version strings for upcoming release
patch_15Jun2023
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2023-06-15 14:30:40 -04:00 |
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0df1542be1
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Pair SNAP tuning for Kokkos SYCL
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2023-06-15 10:22:35 -06:00 |
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1144a01658
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Merge pull request #3815 from akohlmey/collected_small_changes
Collected small changes and fixes for the next feature release
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2023-06-15 10:01:54 -04:00 |
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55d767e416
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make sure intermediate results are 64-bit compatible, so the won't overflow
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2023-06-15 01:51:12 -04:00 |
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e01bde5be5
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avoid null pointer dereference
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2023-06-15 01:50:07 -04:00 |
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4eb602e0d4
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improve error messages and apply clang-format
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2023-06-14 22:18:08 -04:00 |
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b8dda7ebfe
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documentation formatting and spelling fixes
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2023-06-14 22:08:30 -04:00 |
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d19d12e9e1
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Merge branch 'develop' into collected_small_changes
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2023-06-14 21:55:16 -04:00 |
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4d02c6f26f
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update version strings for upcoming release
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2023-06-14 21:50:27 -04:00 |
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162f243ebc
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Merge pull request #3797 from Compizfox/develop
Include bond forces in `compute stress/cartesian`
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2023-06-14 21:31:41 -04:00 |
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77898e4a86
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update log files for fix widom
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2023-06-14 18:28:51 -04:00 |
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57f82924f5
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Merge branch 'develop' into collected_small_changes
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2023-06-14 18:24:18 -04:00 |
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618fa815cc
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Merge pull request #3812 from wmbrownIntel/intel_fixes_2023Jun
Misc Fixes for Intel Package
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2023-06-14 18:21:34 -04:00 |
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634c6cdc13
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Merge pull request #3632 from arghdos/eam_teampolicy_optimization
Implement a "caching in LDS" approach for EAM to improve performance in HIP
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2023-06-14 15:38:54 -04:00 |
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4faebaf4ed
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add log files for fix pimd/langevin
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2023-06-14 14:53:06 -04:00 |
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82f664acd4
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update log files for BODY package styles
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2023-06-14 14:43:29 -04:00 |
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