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
ddc596170e
Merge pull request #2803 from akohlmey/collected-small-changes
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Collected small changes
2021-06-21 12:59:16 -04:00
2624e3fd8f
add unit test for pair style rann
2021-06-20 22:14:06 -04:00
a4c8650d2a
plug memory leaks in USER-PACE
2021-06-20 21:29:49 -04:00
2ca0a4df98
add unit test for MLIAP SO3 descriptor
2021-06-13 17:45:00 -04:00
8b0a063059
must not test for bonded interactions without MOLECULE package
2021-06-06 18:37:14 -04:00
fde2295685
add comments to suppress useless warnings from LGTM
2021-05-31 12:01:50 -04:00
58625d800e
also make CMake scripts in unittest tree consistent
2021-05-25 15:10:18 -04:00
2e6a0112d3
update URLs in some more files
2021-05-24 16:19:37 -04:00
ba854ec7c3
changes required to cross-compile unit tests for windows
2021-05-23 01:46:14 -04:00
9483db9581
Merge branch 'prepare-clang-format' of github.com:akohlmey/lammps into prepare-clang-format
2021-05-14 17:21:18 -04:00
0f7a41590d
fix bug in lammps_reset_box() no-box check and error out when atoms exist
2021-05-13 12:46:43 -04:00
8617770592
Merge pull request #2511 from samueljmcameron/fix_bd_sphere
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Add USER-BROWNIAN package
2021-05-12 13:51:42 -04:00
ee546e2fa3
Merge pull request #2758 from akohlmey/collected-small-changes
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Collected small changes and fixes for the next patch release
2021-05-11 19:31:12 -04:00
92c5951d6c
Update to latest changes from upstream
2021-05-11 17:49:03 -04:00
8f917b509b
add test for querying the operating system info
2021-05-11 15:24:04 -04:00
fbe9240cf3
add python unit test for GPU capabilities
2021-05-11 15:17:43 -04:00
883d55f416
skip running GPU test if there is no viable GPU device
2021-05-11 13:42:25 -04:00
38eb0fa29d
Python: add context manager implementation
2021-05-10 18:42:27 -04:00
f375aab2c5
Correct test name
2021-05-10 18:42:27 -04:00
3eef759bb1
Merge pull request #2749 from akohlmey/varargs-message-warning
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Make warning and info messages vararg compatible and implement "thermo_modify warn"
2021-05-10 13:41:23 -04:00
8fd0595f1b
update error class unit test
2021-05-05 18:18:05 -04:00
ed45ef301f
add unit test for error class
2021-05-05 14:55:47 -04:00
18b066c034
seems we can use a tighter epsilon on the revised pair styles bop/polymorphic
2021-05-05 12:11:27 -04:00
2a903f85de
update unit test reference data
2021-05-05 12:02:32 -04:00
09684b776f
Merge pull request #2750 from akohlmey/update-bop
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Updated pair style bop
2021-05-04 20:59:26 -04:00
9137c579ba
update bop unit tests
2021-05-04 00:07:49 -04:00
199e750eb1
small tweaks to pass unit tests on FreeBSD
2021-05-03 16:33:04 -04:00
69224ea682
must skip this test if USER-OMP is installed but OpenMP not enabled
2021-05-03 15:30:48 -04:00
16964e12bc
remove fragile OpenMP thread checks
2021-05-02 22:06:08 -04:00
a9ff9312d6
Merge remote-tracking branch 'origin/master' into varargs-log-error-functions
2021-04-28 18:13:31 -04:00
5d837a0641
update unit tests
2021-04-27 18:46:30 -04:00
e2318e1710
add tests for new function
2021-04-27 16:13:57 -04:00
cce54b6ba5
disable check failing due to inconsistent behavior on different platforms
2021-04-27 16:13:23 -04:00
5655523468
correct expected error message
2021-04-27 16:13:15 -04:00
57a7bd7186
adjust for changed CMake variable scope due to moving script code
2021-04-26 20:16:55 -04:00
18215ff3e7
Merge remote-tracking branch 'origin/master' into more-unit-tests
2021-04-26 14:48:14 -04:00
462f27d661
Use copy-and-swap in Tokenizers
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Ensures that the classes behave consistently when copied, moved, copy assigned,
and move assigned.
2021-04-26 14:28:13 -04:00
6b04ebd617
Merge branch 'master' into varargs-log-error-functions
2021-04-26 13:27:58 -04:00
2c6fe2d0b5
add tests for the overloaded constructor using a file pointer
2021-04-26 12:12:45 -04:00
beca3e5f0d
collect the full help message
2021-04-25 22:27:36 -04:00
4e25204296
add vararg versions of Error::all() and Error::one() plus unit tests
2021-04-25 19:04:49 -04:00
60c2d8ea5b
rather than replicate code, expand format to string and call original function
2021-04-25 18:33:37 -04:00
ba4781bd82
restore old string matching as it works just as well (on my machine)
2021-04-25 01:14:57 -04:00
b7088a14ae
use alternate way to compare strings
2021-04-25 00:45:10 -04:00
ba5f531619
add some basic tests for the "processors" command
2021-04-25 00:44:51 -04:00
43325dca82
update/add tests about starting up LAMMPS
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- move the test checking the help message from the c++ library
to running the executable and checking the output
- add a command line test for errors on invalid command line flags
- add a c++ library test checking if ntreads is set to 1 without OMP_NUM_THREADS
2021-04-25 00:19:22 -04:00
539ab02365
provide more generic implementation of Comm::read_lines_from_file() in utils
2021-04-24 21:05:11 -04:00
e6f57cdf2c
minor tweaks
2021-04-24 07:21:29 -04:00
66f690004d
correctly test move constructors
2021-04-24 07:14:49 -04:00
