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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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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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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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650caa356f
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update atom style tester for removed Atom class members
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2023-01-21 05:28:14 -05:00 |
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819ab9f2ff
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portability improvements for Solaris/OpenIndiana
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2023-01-19 17:36:02 -05:00 |
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d7742412b3
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must use dynamic cast due to virtual inheritance
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2022-12-12 20:37:53 -05:00 |
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045afe00d8
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add tests for read_data add, and read_data with fix property/atom
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2022-11-19 21:19:20 -05:00 |
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4392b9c8cb
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store LAMMPS version of restart, if initialized from restart file
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2022-11-10 02:24:50 -05:00 |
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1db5c4b89b
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silence compiler warnings
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2022-11-02 06:17:07 -04:00 |
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248b7383c7
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Merge remote-tracking branch 'github/develop' into collected-small-changes
# Conflicts:
# src/DIPOLE/pair_lj_cut_dipole_long.h
# src/OPENMP/fix_nvt_sllod_omp.h
# src/PHONON/fix_phonon.h
# src/SPIN/pair_spin_dipole_cut.h
# src/SPIN/pair_spin_dipole_long.h
# src/STUBS/mpi.h
# src/UEF/fix_nh_uef.h
# src/fix_nvt_sllod.h
# tools/coding_standard/homepage.py
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2022-10-24 15:50:50 -04:00 |
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3c4b0a0c04
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expand homepage checker tool to check a few more folders and apply updates
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2022-10-24 10:58:39 -04:00 |
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c47b16c358
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cosmetic
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2022-10-14 05:08:24 -04:00 |
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8b6c93cb11
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silence compiler warning
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2022-10-14 04:46:05 -04:00 |
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34714dba29
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improve error messages
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2022-09-11 22:10:50 -04:00 |
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e45fa36717
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improve error messages
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2022-09-10 19:47:28 -04:00 |
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44e983f641
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more dump tests
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2022-09-10 04:54:48 -04:00 |
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ab899861d5
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apply clang-format
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2022-09-10 03:21:28 -04:00 |
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b4410fa72a
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Merge branch 'develop' into type-labels
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2022-09-09 16:31:38 -04:00 |
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d4bddd4295
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Merge pull request #3440 from lammps/dump-step-post-minimize
Enforce dump snapshots on multiples of N steps in a run after minimize
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2022-09-09 16:30:35 -04:00 |
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935eea8219
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test a variety of dump output frequency and starting timesteps and run lengths
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2022-09-09 15:57:34 -04:00 |
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45c2419c84
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fix bug exposed by extending the regex buffer
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2022-09-08 23:25:02 -04:00 |
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f3acba28c7
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make unit test Windows compatible.
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2022-09-06 23:32:38 -04:00 |
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3a0b49b5bf
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Merge branch 'develop' into type-labels
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2022-09-06 19:16:07 -04:00 |
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1a5a509c1d
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add typelabel support for Shake Bond Types section in molecule files
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2022-09-05 10:28:00 -04:00 |
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53d82056ce
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add molecule file tests with type labels
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2022-09-04 21:09:43 -04:00 |
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8d26cc96c8
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also test colname default keyword/value pair
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2022-09-01 21:00:17 -04:00 |
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ced73080b8
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more dump_modify tests
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2022-09-01 04:03:11 -04:00 |
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be53dda249
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more dump_modify testing
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2022-08-31 21:23:23 -04:00 |
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bb225c4be6
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add unit test for checking dump_modify every
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2022-08-31 17:20:04 -04:00 |
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bb6ea422b7
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avoid global namespace import in header, more consistency
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2022-08-28 17:22:26 -04:00 |
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634496b509
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consistent naming and style
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2022-08-28 17:06:38 -04:00 |
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ca4f7b6579
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Merge pull request #3399 from akohlmey/lookup-molecules
Refactor access to molecule templates
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2022-08-17 15:29:11 -04:00 |
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89f32e43dc
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update unit test for changed error message
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2022-08-13 23:02:04 -04:00 |
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1de66a82de
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add tests for new API
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2022-08-13 16:02:58 -04:00 |
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7bce3a92e2
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correct test for overload with/without optional format arguments
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2022-08-04 22:00:13 -04:00 |
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7232261cea
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correct unit tests for dump local
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2022-07-17 12:15:44 -04:00 |
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234b9f180a
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use clang-tidy and clang-format to update/modernize/simplify code
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2022-05-31 14:46:57 -04:00 |
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fa79a66734
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feof() returns non-zero not necessarily 1
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2022-05-29 19:53:11 -04:00 |
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e2dd08a93e
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Better handle file- or path-names with spaces
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2022-05-28 04:55:10 -04:00 |
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bead819070
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changes missing from the previous commit
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2022-05-23 11:37:00 -04:00 |
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b461a49eee
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use _EXECUTABLE consistently instead of _BINARY
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2022-05-23 11:14:17 -04:00 |
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007588f9cb
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use GZIP executable variable name consistently
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2022-05-21 18:56:58 -04:00 |
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e3e849b266
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skip compressed file format tests if gzip executable is not found
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2022-05-21 07:37:25 -04:00 |
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