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c332103938
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make short read detection bugfix work in parallel
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2023-06-26 15:20:29 -04:00 |
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d4e705b059
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enable and apply clang-format
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2023-06-26 10:59:03 -04:00 |
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d813519493
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make handling of masses consistent and simplify code
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2023-06-26 10:52:12 -04:00 |
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d1980031ef
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remove more duplicate semicolons
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2023-06-25 06:02:17 -04:00 |
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92c118b29f
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replace for (;;) with while (true)
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2023-06-25 05:56:51 -04:00 |
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bfa39a37ff
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apply clang-format
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2023-06-25 05:47:21 -04:00 |
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fab01c7d5f
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Remove extra semicolons
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2023-06-24 20:26:08 -06:00 |
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a38e0fb47b
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restore clang-format comments
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2023-06-23 08:22:31 -04:00 |
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e9a06a0654
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correct and reformat error messages for short reads
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2023-06-22 11:49:56 -04:00 |
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ffda6596da
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detect and flag short reads with missing lines in utils::read_lines_from_file()
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2023-06-22 10:48:07 -04:00 |
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558298ac04
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Merge branch 'collected-small-fixes' of github.com:akohlmey/lammps into collected-small-fixes
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2023-06-21 15:05:11 -04:00 |
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e95b10f24a
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update VMD plugin headers to the latest version
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2023-06-21 06:44:09 -04:00 |
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e4b50a610e
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avoid segfaults if a dump is created and followed by run pre no
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2023-06-21 06:44:08 -04:00 |
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6d6f57aeff
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cosmetic
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2023-06-20 16:17:11 -04:00 |
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fcc3c99e2b
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avoid segfaults if a dump is created and followed by run pre no
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2023-06-20 13:31:16 -04:00 |
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6791651b62
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add else branch to make coverity scan happy
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2023-06-20 09:41:55 -04:00 |
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af3d971023
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allow longer argument strings to avoid failues with unit tests
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2023-06-19 18:49:43 -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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