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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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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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9a732ba513
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Fortran implementation of create_atoms + unittests
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2022-10-19 09:56:54 -05:00 |
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af3d618f47
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complete implementation of looking up last error message and include test
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2022-10-03 23:18:44 -04:00 |
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c5c21bb36c
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Implemented, tested, and documented gather_atoms and variants; added RST docs for lammps_scatter_atoms and lammps_gather_atoms and variants (library.cpp); checked for missing atom map in lammps_gather_atoms_subset; fixed bug in keepstuff.f90; fixed docs for extract_variable
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2022-10-02 15:28:10 -05:00 |
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a323e09822
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Merge branch 'lammps:develop' into fortran-further-tinkering
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2022-09-30 19:40:32 -05:00 |
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8ee17edcab
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Implemented more unit tests; stuck on atomfile
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2022-09-29 23:39:39 -05:00 |
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a7071fea78
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Wrote docs for extract_fix,extract_variable; fixed python so it knows about string variables; doc typo fixes; part of extract_variable unit test
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2022-09-29 19:28:15 -05:00 |
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1d4297e2dd
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Implemented extract_fix, extract_variable, flush_buffers; unit test for extract_fix
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2022-09-28 22:09:26 -05:00 |
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7fe9d087db
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move reusable fortran modules to keep data to a separate file
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2022-09-27 14:01:01 -04:00 |
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26e269aacd
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continued ork on extract_compute unit tests
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2022-09-24 12:04:27 -05:00 |
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69627eee8d
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Merged with fortran-tinkering
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2022-09-23 22:11:24 -05:00 |
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0f2a7d3f33
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Merge branch 'develop' into fortran-tinkering
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2022-09-23 12:41:39 -04:00 |
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aff5200ded
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Implemented extract_atom, updated docs, added some unit tests
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2022-09-22 19:16:15 -05:00 |
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72fab8d5f5
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must depend on libflammps so that there is no race condition
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2022-09-18 16:35:28 -04:00 |
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72573987fa
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I wrote unit tests for all the Fortran interface commands in this pull request
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2022-09-14 21:07:32 -05:00 |
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56304fe939
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move check for Fortran Compiler validity
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2022-09-13 11:24:20 -04:00 |
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7a97b25c8d
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must link with -lgfortran when using flang
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2022-09-12 17:02:06 -04:00 |
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a9aa462a60
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use alternate way to incorporate the module via "include" in the source code
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2022-08-06 18:47:31 -04:00 |
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801d59a9ac
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correct MPI detection for Fortran
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2022-08-06 18:46:56 -04:00 |
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cf942e7d5f
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may check for MPI library Fortran support only if MPI is enabled
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2022-06-23 15:54:04 -04:00 |
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6475d4b956
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Skip Fortran unittests if no Fortran MPI support is found
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2022-05-18 07:16:16 -04:00 |
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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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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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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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95f713bd38
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skip testing the fortran module if CMake cannot identify the fortran compiler
this avoids compilation failure with the new llvm based flang (aka f18)
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2021-06-21 17:25:29 -04:00 |
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ba854ec7c3
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changes required to cross-compile unit tests for windows
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2021-05-23 01:46:14 -04:00 |
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c50a82af78
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apply consistent naming scheme for tester source files and executables
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2020-09-01 20:16:39 -04:00 |
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e44707d5e1
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add unittest support for the fortran interface to LAMMPS
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2020-08-28 20:56:52 -04:00 |
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