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4e604c2ccd
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remove OpenMPI hack. We have disabled MPIIO testing altogether.
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2023-08-14 22:05:32 -04:00 |
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b9afbf40a0
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Merge branch 'develop' into collected-small-changes
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2023-08-09 00:43:29 -04:00 |
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bddb19fda1
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disable *all* MPI-IO related testing
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2023-08-09 00:41:40 -04:00 |
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5d1c75e660
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disable MPI-IO based restart writing (for now)
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2023-08-09 00:41:39 -04:00 |
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2f6dbfd239
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possible workaround for unit test failure
taken from: https://github.com/open-mpi/ompi/issues/9656
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2023-08-09 00:41:39 -04:00 |
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b6f7a27b09
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Merge pull request #3871 from megmcca/local-composition
Per-atom compute to calculate local composition of atom types
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2023-08-05 00:53:57 -04:00 |
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003a207038
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possible workaround for unit test failure
taken from: https://github.com/open-mpi/ompi/issues/9656
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2023-08-04 22:30:28 -04:00 |
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5d3839db9f
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clean up all created files
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2023-08-04 13:27:01 -04:00 |
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ecb28e8e2e
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Merge branch 'develop' into cmake-3.16
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2023-08-04 04:26:30 -04:00 |
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2305c4cb30
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Merge branch 'develop' into cmake-3.16
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2023-08-03 17:39:15 -04:00 |
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4ed98083e0
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Merge branch 'develop' into always-exceptions
# Conflicts:
# src/library.cpp
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2023-08-03 16:50:50 -04:00 |
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21d4be321a
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must lower test epsilon with single precision FFTs and pppm used
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2023-07-21 12:12:53 -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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fc365d3d5f
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Merge branch 'develop' into always-exceptions
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2023-06-22 10:53:36 -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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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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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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0314c9892c
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silence compiler warnings
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2023-06-14 10:26:38 -04:00 |
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92e069b19d
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add fortran unit tests for lammps_last_thermo
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2023-06-10 21:36:56 -04:00 |
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62b388b48f
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consolidate LAMMPS data type constants and enums and use the same names
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2023-06-10 19:23:11 -04:00 |
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235e98ee6a
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pylammps: only capture all thermo if PYTHON package is enabled
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2023-06-09 17:40:06 -06:00 |
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5d4f9abf5b
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add unit tests for c-library interface and plain python module
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2023-06-08 15:15:28 -04:00 |
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7551219d81
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correct multitype unittest for -DLAMMPS_SMALLSMALL
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2023-06-07 20:16:26 -04:00 |
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af25bd87fb
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Merge branch 'develop' into collected-small-fixes
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2023-06-07 15:23:54 -04:00 |
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f406aa1492
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Merge pull request #3792 from evoyiatzis/master
Inclusion of bond & angle contributions to "compute stress/mop"
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2023-06-07 06:09:58 -04:00 |
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14acb3e0ca
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add multitype data type and unittest (including tests for ubuf)
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2023-06-06 21:29:50 -04:00 |
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d85342cd6d
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Update test_compute_global.cpp
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2023-06-03 16:04:40 +03:00 |
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4540427e2b
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add unit tests for is_typelabel() variable function
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2023-05-31 08:50:21 -04:00 |
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458cce7699
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Updating unit test for mop to reflect the contribution from bonds
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2023-05-27 14:33:46 +03:00 |
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cf51c94be0
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update unit test for presence of Pair::extract() function in pair style kim
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2023-05-15 02:02:36 -04:00 |
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0facd4cf66
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support vector variable definitions with embedded blanks
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2023-05-05 01:06:55 -04:00 |
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366b64571d
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add a few unit tests for static vector style variables
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2023-05-04 20:44:46 -04:00 |
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67b6a1de70
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fixup broken unit tests
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2023-05-04 20:09:57 -04:00 |
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3f8cd4577c
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update unit test
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2023-05-02 16:20:29 -04:00 |
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d2bb1b420d
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simplify and cleanup
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2023-05-02 11:49:13 -04:00 |
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12135bac77
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add unit tests for compute count/type
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2023-05-02 10:22:37 -04:00 |
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e1df51969d
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Merge branch 'develop' into always-exceptions
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2023-04-25 09:08:21 -04:00 |
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08bf9e2513
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apply clang-format
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2023-04-16 12:35:41 -04:00 |
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5f4a80d41f
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remove obsolete unittest code specific to handling the case of lammps exceptions disabled
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2023-04-16 12:34:47 -04:00 |
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98efb19e79
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simplify and modernize. apply clang-format.
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2023-04-16 12:23:42 -04:00 |
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a7460445bb
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simplify and modernize. apply clang-format.
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2023-04-16 12:14:59 -04:00 |
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0cd5ae5f2e
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remove -DLAMMPS_EXCEPTIONS and always enable the corresponding code paths
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2023-04-15 17:49:08 -04:00 |
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f7d6592aa6
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avoid crash in Pair::single() test on certain inpus
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2023-04-08 04:00:10 -04:00 |
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70f1d17495
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implement lj/expand/sphere
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2023-04-07 18:33:06 -04:00 |
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6b2896db75
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update
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2023-04-07 18:19:18 -04:00 |
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e82fd31bd4
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rename lj/sphere to lj/cut/sphere and add (yet non-functional) lj/expand/sphere
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2023-04-06 08:18:56 -04:00 |
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dfd16c95ff
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Merge branch 'develop' into pair-lj-lepton-sphere
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2023-04-03 17:46:34 -04:00 |
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