Commit Graph

47 Commits

Author SHA1 Message Date
658df50e97 make getenv style variable test fully portable 2022-10-03 09:37:05 -04:00
dc5324c1db Updated unit tests to use keepstuff; whitespace fixes 2022-10-02 21:26:42 -05:00
db9b59c269 Implemented scatter_atoms and scatter_atoms_subset + unit tests + documentation + typos/edits 2022-10-02 20:32:42 -05:00
c5c21bb36c 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 2022-10-02 15:28:10 -05:00
2f5e0646d9 Fixed typo in test_fortran_properties 2022-09-30 21:55:50 -05:00
a323e09822 Merge branch 'lammps:develop' into fortran-further-tinkering 2022-09-30 19:40:32 -05:00
d301ff9961 Added set_variable and a test for it 2022-09-30 18:31:18 -05:00
756d24ff9e Implemented vector-style variables in C, Python, and Fortran APIs; unit test and more for Fortran/extract_variable 2022-09-30 16:02:26 -05:00
8ee17edcab Implemented more unit tests; stuck on atomfile 2022-09-29 23:39:39 -05:00
a7071fea78 Wrote docs for extract_fix,extract_variable; fixed python so it knows about string variables; doc typo fixes; part of extract_variable unit test 2022-09-29 19:28:15 -05:00
c068c226cc consolidate fortran test keeper modules into a single module 2022-09-29 09:47:40 -04:00
1d4297e2dd Implemented extract_fix, extract_variable, flush_buffers; unit test for extract_fix 2022-09-28 22:09:26 -05:00
7fe9d087db move reusable fortran modules to keep data to a separate file 2022-09-27 14:01:01 -04:00
256f385be4 avoid race condition 2022-09-27 13:20:39 -04:00
2072e08624 added get_last_error_message; still working on its unit test 2022-09-26 21:56:03 -05:00
1072a5bda2 Added unit test for has_error 2022-09-26 09:21:41 -05:00
28d84b4fcb Missed wrap_extract_compute.cpp in prior commit 2022-09-26 08:57:32 -05:00
bada1fb348 Finished extract_compute and its unit tests and documentation 2022-09-25 23:54:18 -05:00
26e269aacd continued ork on extract_compute unit tests 2022-09-24 12:04:27 -05:00
69627eee8d Merged with fortran-tinkering 2022-09-23 22:11:24 -05:00
cc0fc01d1c Implemented extract_compute and started writing unit test for it 2022-09-23 16:23:51 -05:00
0f2a7d3f33 Merge branch 'develop' into fortran-tinkering 2022-09-23 12:41:39 -04:00
5f5397f61b Added unit tests for x and v 2022-09-22 22:23:31 -05:00
ae4404201f Forgot to add the unit test files to the commit.... 2022-09-22 19:55:10 -05:00
aff5200ded Implemented extract_atom, updated docs, added some unit tests 2022-09-22 19:16:15 -05:00
72fab8d5f5 must depend on libflammps so that there is no race condition 2022-09-18 16:35:28 -04:00
72573987fa I wrote unit tests for all the Fortran interface commands in this pull request 2022-09-14 21:07:32 -05:00
56304fe939 move check for Fortran Compiler validity 2022-09-13 11:24:20 -04:00
7a97b25c8d must link with -lgfortran when using flang 2022-09-12 17:02:06 -04:00
5b0a9cea99 use ISO_C_BINDING compatible return type 2022-08-06 20:43:04 -04:00
a9aa462a60 use alternate way to incorporate the module via "include" in the source code 2022-08-06 18:47:31 -04:00
801d59a9ac correct MPI detection for Fortran 2022-08-06 18:46:56 -04:00
cf942e7d5f may check for MPI library Fortran support only if MPI is enabled 2022-06-23 15:54:04 -04:00
6475d4b956 Skip Fortran unittests if no Fortran MPI support is found 2022-05-18 07:16:16 -04:00
d62e25decc don't specify default working directory for tests explicitly 2022-01-29 11:10:23 -05:00
7978bf671d use canonical syntax for adding tests 2022-01-28 21:12:13 -05:00
62ff23abe7 simplify building serial executables by incorporating the STUBS/mpi.o object in LAMMPS library 2022-01-27 15:59:48 -05:00
ad81dd3960 recover original new style library target names through ALIAS library definitions 2021-10-22 08:23:49 -04:00
d8db9dd3ac Merge branch 'develop' into multi-config-support
# Conflicts:
#	cmake/Modules/GTest.cmake
2021-10-21 10:26:31 -04:00
27145d2789 catch up on refactoring default destructors that were missed previously 2021-10-14 01:12:04 -04:00
84c945f7fb Use multi-config compatible way to integrate googletest for unit testing 2021-09-11 04:50:04 -04:00
95f713bd38 skip testing the fortran module if CMake cannot identify the fortran compiler
this avoids compilation failure with the new llvm based flang (aka f18)
2021-06-21 17:25:29 -04:00
ba854ec7c3 changes required to cross-compile unit tests for windows 2021-05-23 01:46:14 -04:00
65dc5c0351 work around PGI compiler issues 2020-12-15 14:32:18 -05:00
569a000e6b reformat unittest sources with clang-format 2020-11-25 16:51:41 -05:00
c50a82af78 apply consistent naming scheme for tester source files and executables 2020-09-01 20:16:39 -04:00
e44707d5e1 add unittest support for the fortran interface to LAMMPS 2020-08-28 20:56:52 -04:00