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1dc25b0e10
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rename USER-OMP to OPENMP
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2021-06-29 17:48:22 -04:00 |
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c085e55695
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rename USER-SMD package to MACHDYN
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2021-06-29 17:19:39 -04:00 |
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dc3efd17d2
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rename USER-MEAMC to MEAM and pair style meam/c to meam (keeping meam/c as an alias)
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2021-06-29 16:59:05 -04:00 |
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95f713bd38
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skip testing the fortran module if CMake cannot identify the fortran compiler
this avoids compilation failure with the new llvm based flang (aka f18)
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2021-06-21 17:25:29 -04:00 |
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ddc596170e
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Merge pull request #2803 from akohlmey/collected-small-changes
Collected small changes
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2021-06-21 12:59:16 -04:00 |
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2624e3fd8f
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add unit test for pair style rann
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2021-06-20 22:14:06 -04:00 |
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a4c8650d2a
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plug memory leaks in USER-PACE
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2021-06-20 21:29:49 -04:00 |
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2ca0a4df98
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add unit test for MLIAP SO3 descriptor
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2021-06-13 17:45:00 -04:00 |
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8b0a063059
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must not test for bonded interactions without MOLECULE package
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2021-06-06 18:37:14 -04:00 |
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fde2295685
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add comments to suppress useless warnings from LGTM
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2021-05-31 12:01:50 -04:00 |
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58625d800e
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also make CMake scripts in unittest tree consistent
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2021-05-25 15:10:18 -04:00 |
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2e6a0112d3
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update URLs in some more files
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2021-05-24 16:19:37 -04:00 |
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ba854ec7c3
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changes required to cross-compile unit tests for windows
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2021-05-23 01:46:14 -04:00 |
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9483db9581
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Merge branch 'prepare-clang-format' of github.com:akohlmey/lammps into prepare-clang-format
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2021-05-14 17:21:18 -04:00 |
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0f7a41590d
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fix bug in lammps_reset_box() no-box check and error out when atoms exist
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2021-05-13 12:46:43 -04:00 |
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8617770592
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Merge pull request #2511 from samueljmcameron/fix_bd_sphere
Add USER-BROWNIAN package
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2021-05-12 13:51:42 -04:00 |
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ee546e2fa3
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Merge pull request #2758 from akohlmey/collected-small-changes
Collected small changes and fixes for the next patch release
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2021-05-11 19:31:12 -04:00 |
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92c5951d6c
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Update to latest changes from upstream
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2021-05-11 17:49:03 -04:00 |
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8f917b509b
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add test for querying the operating system info
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2021-05-11 15:24:04 -04:00 |
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fbe9240cf3
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add python unit test for GPU capabilities
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2021-05-11 15:17:43 -04:00 |
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883d55f416
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skip running GPU test if there is no viable GPU device
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2021-05-11 13:42:25 -04:00 |
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38eb0fa29d
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Python: add context manager implementation
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2021-05-10 18:42:27 -04:00 |
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f375aab2c5
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Correct test name
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2021-05-10 18:42:27 -04:00 |
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3eef759bb1
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Merge pull request #2749 from akohlmey/varargs-message-warning
Make warning and info messages vararg compatible and implement "thermo_modify warn"
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2021-05-10 13:41:23 -04:00 |
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8fd0595f1b
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update error class unit test
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2021-05-05 18:18:05 -04:00 |
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ed45ef301f
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add unit test for error class
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2021-05-05 14:55:47 -04:00 |
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18b066c034
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seems we can use a tighter epsilon on the revised pair styles bop/polymorphic
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2021-05-05 12:11:27 -04:00 |
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2a903f85de
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update unit test reference data
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2021-05-05 12:02:32 -04:00 |
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09684b776f
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Merge pull request #2750 from akohlmey/update-bop
Updated pair style bop
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2021-05-04 20:59:26 -04:00 |
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9137c579ba
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update bop unit tests
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2021-05-04 00:07:49 -04:00 |
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199e750eb1
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small tweaks to pass unit tests on FreeBSD
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2021-05-03 16:33:04 -04:00 |
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69224ea682
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must skip this test if USER-OMP is installed but OpenMP not enabled
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2021-05-03 15:30:48 -04:00 |
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16964e12bc
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remove fragile OpenMP thread checks
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2021-05-02 22:06:08 -04:00 |
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a9ff9312d6
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Merge remote-tracking branch 'origin/master' into varargs-log-error-functions
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2021-04-28 18:13:31 -04:00 |
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5d837a0641
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update unit tests
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2021-04-27 18:46:30 -04:00 |
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e2318e1710
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add tests for new function
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2021-04-27 16:13:57 -04:00 |
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cce54b6ba5
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disable check failing due to inconsistent behavior on different platforms
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2021-04-27 16:13:23 -04:00 |
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5655523468
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correct expected error message
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2021-04-27 16:13:15 -04:00 |
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3a6e27e0e8
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must skip nofdotr test for sw since that requires newton on with /intel
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2021-04-27 12:33:33 -04:00 |
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9a09378136
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can only use and test fdotr with USER-INTEL when newton pair is off
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2021-04-27 09:53:20 -04:00 |
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73f4346056
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add nofdotr test
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2021-04-27 09:00:04 -04:00 |
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7ec8d025c8
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tweak epsilon to adjust for numeric noise when using pair_modify nofdotr
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2021-04-27 08:29:21 -04:00 |
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7d6f7a0984
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disable check failing due to inconsistent behavior on different platforms
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2021-04-27 07:44:44 -04:00 |
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ae8c48bcec
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correct expected error message
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2021-04-27 07:44:14 -04:00 |
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57a7bd7186
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adjust for changed CMake variable scope due to moving script code
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2021-04-26 20:16:55 -04:00 |
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18215ff3e7
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Merge remote-tracking branch 'origin/master' into more-unit-tests
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2021-04-26 14:48:14 -04:00 |
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462f27d661
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Use copy-and-swap in Tokenizers
Ensures that the classes behave consistently when copied, moved, copy assigned,
and move assigned.
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2021-04-26 14:28:13 -04:00 |
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6b04ebd617
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Merge branch 'master' into varargs-log-error-functions
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2021-04-26 13:27:58 -04:00 |
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2c6fe2d0b5
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add tests for the overloaded constructor using a file pointer
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2021-04-26 12:12:45 -04:00 |
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beca3e5f0d
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collect the full help message
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2021-04-25 22:27:36 -04:00 |
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