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8a93c84e74
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make formatting consistent with lj/cut
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2020-06-17 15:03:36 -04:00 |
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2d52a09d08
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patch the source code to the ScaFaCoS lib with a proper fix instead of working around it with compiler flags
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2020-06-17 13:01:29 -04:00 |
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27f1ce71fd
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now also check all 'xxx_flag' variables
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2020-06-17 07:42:50 -04:00 |
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34e46cc336
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add workaround to USER-SCAFACOS package CMake script for linker error in FMM with GNU gcc 10.0
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2020-06-17 07:41:00 -04:00 |
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73c7ed1e9c
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start test for atom style charge
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2020-06-17 01:42:41 -04:00 |
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e88bb9dd59
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call MPI_Finalize() so we don't have spurious memory leaks from MPI reported by valgrind
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2020-06-17 01:42:17 -04:00 |
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39b61fbdbe
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add exit() to one() functions since compilers may not recognize that MPI_Abort() does not return.
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2020-06-17 01:30:41 -04:00 |
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61ace42e72
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check status of all per-atom fields
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2020-06-17 01:25:56 -04:00 |
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d990c1e7c0
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simplify through using {fmt}
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2020-06-17 01:25:22 -04:00 |
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32c1dcf44f
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improve match for "id" first checks
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2020-06-17 01:25:06 -04:00 |
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db469b5cfd
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plug memory leak in AtomVec classes
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2020-06-17 01:24:36 -04:00 |
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49af2c25ec
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add tester for atom styles
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2020-06-17 00:11:18 -04:00 |
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b97cd78e80
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change input and log files for new example to give consistent results in serial and parallel.
the remaining files and logs are updated in PR #2162
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2020-06-16 21:11:34 -04:00 |
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1883788725
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update SNAP package inputs and reference logs to give consistent results in serial and parallel
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2020-06-16 20:59:58 -04:00 |
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47b589bdc6
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add [[ noreturn ]] attributes to functions in the Error class that do not return
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2020-06-16 18:30:04 -04:00 |
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a2f78e7cda
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Updated whitespace, implemented low hanging performance boosts
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2020-06-16 15:00:35 -07:00 |
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d8fbb5a16b
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Merge branch 'commands-tests' into collected-small-changes
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2020-06-16 16:39:33 -04:00 |
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73a7fb53ff
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add infrastructure and first example for testing standalone LAMMPS input commands
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2020-06-16 12:52:35 -04:00 |
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9d74984144
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Fix whitespace
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2020-06-16 07:20:09 -04:00 |
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95e79b2347
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Keep file permissions while fixing whitespace issues
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2020-06-16 07:19:19 -04:00 |
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943d252403
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Change regex to detect more whitespace errors
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2020-06-16 07:11:31 -04:00 |
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036b2bd82c
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Add non-zero exit code on whitespace check failure
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2020-06-16 07:06:37 -04:00 |
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61235308f1
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Add non-zero exit code on permission check failure
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2020-06-16 07:05:15 -04:00 |
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093c285475
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use GMock initializer instead of GTest
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2020-06-16 06:37:35 -04:00 |
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436c7615e0
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set metal units and add option to do verbose execution to EIM potential tester
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2020-06-16 06:37:09 -04:00 |
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37a0999826
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add units metadata check to legacy potential file reading method
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2020-06-16 06:36:26 -04:00 |
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b5a809413e
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set units for potential file reader tests. allow verbose execution.
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2020-06-16 06:19:31 -04:00 |
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30d9ffba25
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add "UNITS:" tag to new potential files
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2020-06-16 05:13:41 -04:00 |
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ae435536f3
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use index style variables instead of equal style variable to allow overriding them
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2020-06-16 05:13:16 -04:00 |
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5e238b2cf4
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Merge branch 'master' into chem_snap
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2020-06-16 05:06:11 -04:00 |
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ba26b2f71f
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Update false positives and fix typos
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2020-06-15 17:24:47 -07:00 |
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b55f1829d9
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Fixed number of parameters sent to sna kokkos to include bnormflag
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2020-06-15 17:09:14 -07:00 |
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39f1fb874f
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Fixed small merge conflict bug for ylists
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2020-06-15 16:53:39 -07:00 |
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7a00ec90e5
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Merge pull request #2134 from akohlmey/next_lammps_version
Update version strings for next patch release
patch_15Jun2020
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2020-06-15 18:20:17 -04:00 |
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a598a66eda
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Merge pull request #2157 from akohlmey/use-clang-format-demo
Demonstrate use of clang-format in LAMMPS
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2020-06-15 17:55:42 -04:00 |
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30100d33c6
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get rid of tabs and trailing whitespace
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2020-06-15 17:37:45 -04:00 |
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3abbf57146
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remove executable permissions on files that should not have them
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2020-06-15 17:34:21 -04:00 |
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fd8cfed86d
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fix typo
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2020-06-15 17:33:50 -04:00 |
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05319cae66
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updates for using {fmt} and reordering of include statements exposing hidden includes
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2020-06-15 16:55:38 -04:00 |
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05d1924d62
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update for using {fmt}
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2020-06-15 16:48:20 -04:00 |
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14c22a004a
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Merge branch 'master' into use-clang-format-demo
# Conflicts:
# unittest/force-styles/pair_style.cpp
# unittest/utils/test_utils.cpp
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2020-06-15 16:14:13 -04:00 |
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4a3d9afb54
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Merge pull request #2154 from rbberger/coding_standard
Add utilities for checking code
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2020-06-15 15:32:35 -04:00 |
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ac87f1763c
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Merge remote-tracking branch 'refs/remotes/origin/chem_snap' into chem_snap
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2020-06-15 12:22:11 -07:00 |
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39aee089e7
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Merge branch 'master' into chem_snap
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2020-06-15 12:20:48 -07:00 |
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65ff6bb617
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Require clang-format >= 8.0
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2020-06-15 14:59:43 -04:00 |
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c987dfb2c9
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Merge pull request #2156 from akohlmey/collected-small-changes
Collected changes for the next patch release
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2020-06-15 14:40:27 -04:00 |
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e083416dd8
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Merge pull request #2159 from akohlmey/potential-unit-tag
Add a units consistency check by adding a UNITS: tag to potential files.
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2020-06-15 13:55:20 -04:00 |
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0ca7270668
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re-enable USER-MESONT package for MinGW cross compilation
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2020-06-15 13:47:16 -04:00 |
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0199e369fa
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work around race condition and minimizing download attemps for transparently downloaded potential files
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2020-06-15 13:46:54 -04:00 |
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868e5450db
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Merge branch 'patch-1' of github.com:cjknight/lammps into collected-small-changes
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2020-06-15 12:13:25 -04:00 |
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