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3701d330c4
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add unit test for new library function and settings
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2024-05-24 23:03:53 -04:00 |
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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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46768d0ff3
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Correctly build argv with nullptr at the end
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2023-11-08 09:18:58 -07:00 |
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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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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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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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f16c8b4cc4
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recognize "Maintenance" tag in addition to "Development"
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2023-03-31 09:36:00 -04:00 |
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2ac369a3e1
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accommodate for Development marker in RunCouple* unit tests
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2023-03-31 09:23:23 -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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f653ad7990
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add unit tests for c-library interface
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2023-01-29 14:13:28 -05:00 |
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8e138161af
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add more thorough checks on Fortran and MPI support for Fortran.
also works around issue with GNU Fortran 12 and later
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2023-01-13 11:02:24 -05:00 |
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a1f5d8420a
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compile test for coupling to the LAMMPS library via fortran, check if it runs
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2023-01-13 06:26:06 -05:00 |
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79820945f6
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correct computation of number of packages for unit test
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2023-01-07 15:55:04 -05:00 |
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15bf4a281d
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documentation corrections
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2022-11-17 11:48:13 -05:00 |
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096a70363b
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allow to check if Kokkos is active and retrieve number of threads and gpus
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2022-11-17 11:31:34 -05:00 |
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c157b2dea2
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add tests whether simple examples for coupling to the LAMMPS library can run
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2022-10-29 03:46:52 -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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74705c8111
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port error check test from fortran wrapper to c-library interface test
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2022-10-04 09:27:52 -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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ab899861d5
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apply clang-format
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2022-09-10 03:21:28 -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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a7084c8fdb
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Merge remote-tracking branch 'origin/develop' into kokkos_unittests
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2022-02-07 13:04:59 -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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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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7978bf671d
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use canonical syntax for adding tests
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2022-01-28 21:12:13 -05:00 |
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8dd61144cb
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Merge branch 'develop' into kokkos_unittests
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2021-12-20 10:54:27 -05:00 |
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878dd746db
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reduce warnings and improve portability
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2021-12-09 13:55:53 -05:00 |
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62b236a7cd
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Use platform::path_join in unittest tree and remove redundant code
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2021-11-22 15:34:23 -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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ad81dd3960
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recover original new style library target names through ALIAS library definitions
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2021-10-22 08:23:49 -04:00 |
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d8db9dd3ac
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Merge branch 'develop' into multi-config-support
# Conflicts:
# cmake/Modules/GTest.cmake
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2021-10-21 10:26:31 -04:00 |
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a0b25acf35
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refactor loops using (auto var : container) syntax
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2021-10-20 21:58:31 -04:00 |
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2fba6b44e4
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use '= default' when default functions should be used
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2021-10-13 23:59:05 -04:00 |
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daa39d680c
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simplify
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2021-09-11 13:43:25 -04:00 |
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84c945f7fb
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Use multi-config compatible way to integrate googletest for unit testing
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2021-09-11 04:50:04 -04:00 |
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8c3924352d
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only check for meminfo[2] on platforms we know to be supported
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2021-09-08 23:02:56 -04:00 |
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cc87e7eee3
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add unit test for c-library interface function lammps_gather_bonds()
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2021-07-26 20:59:14 -04:00 |
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f6e9c30818
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update unit tests
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2021-07-21 00:47:10 -04:00 |
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1c4e8aba12
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add tests for per-atom values, global energy with pf/array mode
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2021-07-19 00:29:27 -04:00 |
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fa654f2270
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add support for set_vector for fix external in c-library, python and unittest
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2021-07-16 23:41:25 -04:00 |
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5912d0a1c2
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add support for setting global energy for fix external to python module
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2021-07-16 17:43:44 -04:00 |
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f3dc13c9dd
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expand library interface for fix external functionality
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2021-07-16 17:29:15 -04:00 |
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88e363c0bb
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document and add unit tests for lammps_set_fix_external_callback()
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2021-07-16 14:51:04 -04:00 |
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1dc25b0e10
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rename USER-OMP to OPENMP
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2021-06-29 17:48:22 -04:00 |
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2e6a0112d3
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update URLs in some more files
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2021-05-24 16:19:37 -04:00 |
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