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d7792956d6
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bugfix for unittest/fortran/wrap_configuration.cpp
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2024-07-15 17:47:22 -04:00 |
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046f57625a
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Merge branch 'develop' into collected-small-changes
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2024-07-15 13:10:35 -04:00 |
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58513320d3
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core files: replace sprintf with snprintf
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2024-07-13 15:33:56 -06:00 |
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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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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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dedbd8f6db
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improvements from clang-tidy
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2023-12-21 14:25:31 -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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57f82924f5
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Merge branch 'develop' into collected_small_changes
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2023-06-14 18:24:18 -04:00 |
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0314c9892c
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silence compiler warnings
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2023-06-14 10:26:38 -04:00 |
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92e069b19d
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add fortran unit tests for lammps_last_thermo
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2023-06-10 21:36:56 -04:00 |
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e1df51969d
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Merge branch 'develop' into always-exceptions
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2023-04-25 09:08:21 -04:00 |
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08bf9e2513
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apply clang-format
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2023-04-16 12:35:41 -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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98efb19e79
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simplify and modernize. apply clang-format.
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2023-04-16 12:23:42 -04:00 |
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a7460445bb
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simplify and modernize. apply clang-format.
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2023-04-16 12:14:59 -04:00 |
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f717debbd4
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use same main() function as with c-library interface.
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2023-02-02 21:16:20 -05:00 |
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8a0e9f6018
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add tests for gathering angles, dihedrals, impropers from fortran
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2023-02-02 20:58:47 -05:00 |
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5797ba5bcf
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convert Fortran version of lammps_gather_bonds() test to be similar to C version
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2023-02-02 19:10:51 -05:00 |
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7172d1bdd1
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correct syntax error
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2023-02-01 03:53:32 -05:00 |
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2a18c76361
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preparations for unit tests of the Fortran module
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2023-01-30 00:06:30 -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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b79f08b8d5
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fix logic bug
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2022-12-20 07:10:28 -05:00 |
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9e45fba4c4
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skip test where it causes an internal compiler error
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2022-12-20 06:34:00 -05:00 |
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c160eb7f11
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clear memory before use
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2022-12-19 20:52:15 -05:00 |
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a44f5c8594
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fix uninitialized memory access in fortran unit test. must have consumer to access compute
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2022-12-19 20:29:52 -05:00 |
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126f597e71
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need no longer need to Fortran MPI library
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2022-12-11 18:02:49 -05:00 |
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c0a39dc7b8
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add c wrapper to allow testing fortran interface w/o fortran MPI libs
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2022-12-11 18:00:35 -05:00 |
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0984b11cb4
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skip gather_bonds test when atom style full is no available
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2022-12-11 17:59:23 -05:00 |
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162f2f9384
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whitespace; versionadded tags
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2022-12-04 00:27:48 -06:00 |
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c0345845e8
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unit test for gather and scatter; char* to const char* in library.*
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2022-12-03 20:38:42 -06:00 |
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b1664ce8ea
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replaced unit 0 with error_unit
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2022-12-02 00:00:57 -06:00 |
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c2a0660112
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Bug fix and unit tests for fix external-related commands
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2022-12-01 23:49:17 -06:00 |
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a87aff7b87
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Fixed bug and wrote unit tests for fix_external_array functions
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2022-11-30 22:48:29 -06:00 |
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5f9956405a
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Updated docs and wrote unit tests for lmp_set_fix_external_callback; fixed typos
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2022-11-29 15:37:15 -06:00 |
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3dcf5d70a8
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must compare C vs. Fortran strings with trailing whitespace removed
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2022-10-31 21:56:38 -04:00 |
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131522f241
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silence some more compiler warnings
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2022-10-31 18:02:58 -04:00 |
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23c22b4f4f
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silence compiler warnings
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2022-10-31 13:06:03 -04:00 |
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c214a81526
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increase portability and standard conformance
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2022-10-31 13:05:53 -04:00 |
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4c0b415487
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Implied shape arrays for constants are not allowed in Fortran 2008 and later
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2022-10-31 12:05:16 -04:00 |
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55dafc110d
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Unit tests and some off-by-one errors
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2022-10-28 19:09:31 -05:00 |
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624e230f4d
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several bugs fixed; unit tests updated
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2022-10-28 00:51:04 -05:00 |
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e68efc039f
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Resolved merging conflicts in three files
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2022-10-25 14:37:33 -05:00 |
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785b46e57b
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Implemented lmp_gather_bonds, lmp_find_*_neighlist, lmp_neighlist_num_elements, and their unit tests and documentation
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2022-10-24 01:00:48 -05:00 |
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112d616e57
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unit tests for has_style, style_count, and style_name; added them to docs
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2022-10-20 23:22:43 -05:00 |
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60318a5a26
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Refactor Fortran properties test into configuration; implemented several configuration functions and wrote unit tests for them; implemented missing unit tests
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2022-10-20 20:24:59 -05:00 |
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34121e5545
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Implemented decode_image_flags and its unit test; updated documentation
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2022-10-20 00:27:57 -05:00 |
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b51c50294e
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implemented create_atoms and encode_image_flags and unit tests for them; added IMGMASK and friends to extract_setting and unit tests for them; wrote documentation for them
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2022-10-19 18:40:12 -05:00 |
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