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1799f887d2
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Update test_atom_styles.cpp
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2024-10-03 18:36:39 -04:00 |
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9ad3e59c8f
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Update test_atom_styles.cpp
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2024-10-03 12:38:32 -04:00 |
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b5fdd8f0ae
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Revert "update atom_style template test for added charge"
This reverts commit 3ea74b1725.
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2024-10-03 10:26:24 -04:00 |
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ee602a7daa
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Merge branch 'lammps:develop' into alphataubio-kokkos-fixes
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2024-09-04 21:05:58 -04:00 |
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3ea74b1725
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update atom_style template test for added charge
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2024-08-21 16:20:17 -04:00 |
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02752ddf6a
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don't leak memory when throwing an exception
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2024-08-20 01:15:53 -04:00 |
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d84b12ea63
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define EPSILON consistently as static constexp
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2024-07-29 11:57:46 -04:00 |
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da2bd44b73
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modernize and reformat with clang-tidy and clang-format
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2024-07-04 11:17:54 -04:00 |
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245f8c2fad
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silence compiler warnings
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2024-02-09 10:43:38 -05:00 |
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f8885cb266
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implement clang-tidy fixes
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2024-02-09 06:22:10 -05:00 |
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17f869bf5e
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fix issues with reading and writing data files for systems without atom IDs
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2024-01-31 20:20:35 -05:00 |
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5599d1843a
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update syntax
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2024-01-31 19:56:36 -05:00 |
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0d8f549e33
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remove sphere_flag and replace with radius_flag and omega_flag as needed
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2024-01-19 12:50:31 -05:00 |
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f23ba8fbad
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make certain temporary test files are deleted
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2024-01-16 17:54:08 -05:00 |
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f5cbef8b12
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fix typo
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2024-01-16 15:57:42 -05:00 |
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deb8416630
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update tests for echoing the title line of molecule files
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2024-01-16 13:53:07 -05:00 |
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103d8cadb9
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add unit tests for dipoles in molecule files
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2024-01-16 13:05:49 -05:00 |
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010a7a4d44
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check for out-of-range or invalid numbers more thoroughly
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2023-12-08 21:07:38 -05:00 |
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51f0c9eac4
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Merge branch 'develop' of github.com:lammps/lammps into triclinic-neighbor-bug
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2023-10-16 12:18:04 -06:00 |
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c96d793fb6
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update unit tests for change in read_restart
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2023-08-31 04:45:23 -04:00 |
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a81412f015
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remove MPIIO sources and references to them. update Purge.list and build systems
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2023-08-20 21:51:33 -04:00 |
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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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dbab5b6931
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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 22:32:28 -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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