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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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90730f0d3c
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update windows version history
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2022-05-29 02:01:21 -04:00 |
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168d3bdd3c
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Correctly handle the case that the YAML python module is not installed
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2022-05-14 10:15:40 -04:00 |
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f5add95083
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fix syntax error
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2022-04-07 06:08:54 -04:00 |
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8a6e6fe523
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make dump style yaml test dependent on it being available
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2022-04-07 05:59:31 -04:00 |
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3970942028
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add test for yaml dump style
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2022-04-07 02:44:17 -04:00 |
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98b908387f
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add unit test for yaml style thermo output and updated logfile class
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2022-04-07 02:05:47 -04:00 |
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a77680ac7b
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Merge branch 'develop' into python_use_setuptools
# Conflicts:
# cmake/CMakeLists.txt
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2022-02-12 00:37:03 -05:00 |
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75f389f70c
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Enable PyLammps unit test, require NumPy
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2022-02-03 16:24:43 -05:00 |
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82ac7c9e12
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Merge remote-tracking branch 'origin/develop' into python_use_setuptools
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2022-02-02 11:47:13 -05:00 |
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d9c51ca124
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Make sure LAMMPS and unit tests use same Python version
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2022-02-02 11:44:25 -05:00 |
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7ee7d0c570
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apply clang-format
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2022-01-30 17:18:40 -05:00 |
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a8a76dbbe2
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port python module and package tests to be windows compatible. refactor environment processing
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2022-01-30 16:48:47 -05:00 |
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ebeb29adf6
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skip python folder tests for now on windows
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2022-01-29 21:34:51 -05:00 |
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845ab2dd71
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On Windows the Regex matcher for '.' does not match '\n'
Thus we have to use ContainsRegex instead of MatchesRegex
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2022-01-29 16:35:30 -05:00 |
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d62e25decc
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don't specify default working directory for tests explicitly
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2022-01-29 11:10:23 -05:00 |
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389c35a2d3
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use alternate method to create triclinic box for unit test
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2022-01-18 09:09:37 -05:00 |
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6479116419
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Merge branch 'develop' into multi-config-support
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2021-11-02 16:39:12 -04:00 |
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