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686326a999
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Merge remote-tracking branch 'github/develop' into collected-small-changes
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2025-01-13 01:05:48 -05:00 |
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85dec585a6
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add tests for lammps_eval() and its python counterpart
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2025-01-12 14:49:07 -05:00 |
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e45ef5adc0
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unittest: add Python command_wrapper test
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2024-12-12 23:27:07 -07:00 |
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3f78ee72c6
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get access to the applied external force from the fix
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2024-11-24 22:25:38 -05:00 |
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958f2ae58b
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add tests for library interface and python
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2024-09-20 03:57:12 -04:00 |
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575c1014d4
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bugfix in lammps-open.py unit test
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2024-09-17 22:13:07 -06:00 |
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2c05378815
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expand python module unit tests for extract_atom()
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2024-08-31 07:04:59 -04:00 |
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9d9e591b54
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first try at implementing lammps_extract_atom_size()
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2024-08-30 22:50:42 -04:00 |
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67bba08b3d
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add unit tests for extracting lattice spacings
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2024-08-25 00:41:58 -04:00 |
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4daba292d7
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add unit tests for library interface function lammps_extract_pair() and python equivalent
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2024-07-16 18:30:45 -04:00 |
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47af1775c2
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update test since we have now one invocation also during setup
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2024-07-11 15:02:03 -04:00 |
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2a132dfe8f
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add tests for PyLammps to check new exports
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2024-06-18 21:13:33 -04:00 |
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19a8313578
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switch proc_grid to procgrid with backward compatibility for PyLammps
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2024-06-18 21:13:14 -04:00 |
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d2ea3b1ac5
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add some tests for new features
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2024-06-15 08:28:52 -04:00 |
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8ea31bb5c8
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add some unit tests for python wrapper of lammps_map_atom()
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2024-05-25 05:59:25 -04:00 |
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4a13fe68e0
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add tests for new library APIs
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2024-01-24 04:47:59 -05:00 |
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c964d8cda8
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skip python tests using numpy that fail randomly on macOS
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2023-12-22 11:35:35 -05:00 |
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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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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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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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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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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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7738b67737
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Adding mass to python numpy unittest of KE
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2023-03-28 09:17:11 -04:00 |
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fa9062a87e
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make Force::special_lj and Force::special_coul accessible through the library interface
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2023-03-15 18:39:32 -04:00 |
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d31595a36c
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fixing unit tests in python-scatter-gather.py
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2023-01-27 15:27:13 +02:00 |
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755766220c
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Include tests for gather_angles, gather_dihedrals & gather_impropers in python-scatter-gather.py
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2023-01-27 10:28:28 +02:00 |
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10ab0ffe19
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Include tests for gather_angles, gather_dihedrals & gather_impropers in python-numpy.py
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2023-01-27 09:59:28 +02:00 |
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047e4eeebc
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Auxiliary test methods for angles, dihedrals and impropers in python-numpy
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2023-01-26 16:41:47 +02:00 |
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f7ee47f47f
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Auxiliary test methods for angles, dihedrals and impropers
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2023-01-26 16:33:57 +02:00 |
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cf8414d2e4
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cannot test PYTHON package if it is not installed
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2023-01-19 21:00:54 -05:00 |
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d4bd0a74a7
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change "inline" keyword to "here" for consistency with the other uses
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2022-11-11 22:05:35 -05:00 |
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34a5093229
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refactor handling of the python source command. document it and more limits.
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2022-11-10 16:03:06 -05:00 |
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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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ec1c6eba11
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we cannot test the Pizza.py dump class without the MOLECULE package
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2022-10-14 04:46:49 -04:00 |
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0a8dfb73da
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make lammps_config_has_package() accessible in Python module
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2022-10-14 04:46:32 -04:00 |
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ef3b01f340
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add neighbor list access tests. now we can always test for a full list.
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2022-10-03 18:14:08 -04:00 |
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be98b5a168
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Merge pull request #3458 from Boogie3D/mliappy_unified
MLIAP Unified Interface
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2022-09-26 20:33:17 -04:00 |
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7b7237bdaf
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try to suppress creating __pycache__ folders in the python source dirs
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2022-09-24 22:27:22 -04:00 |
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a94cfe175b
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add c/python unit tests for lammps_error()
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2022-09-23 18:59:29 -04:00 |
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874588c74f
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load/test pizza.py dump class only if NumPy is found
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2022-09-01 21:00:55 -04:00 |
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be844dd9b7
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avoid file access issues on windows
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2022-08-28 05:55:33 -04:00 |
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55feca9c0f
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add minimal tests for dump class
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2022-08-21 14:02:39 -04:00 |
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057dff375c
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add unit test for Pizza.py modules
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2022-08-20 21:59:24 -04:00 |
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ec46510d2e
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add local extract_compute() tests
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2022-06-20 23:07:01 -04:00 |
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033af0c507
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add unit test for extracting local vector and array via numpy
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2022-06-20 18:48:50 -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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