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
...
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
0aa64eaf14
portability improvement. replace POSIX-only functionality.
2021-04-24 07:14:29 -04:00
e980d17882
reuse existing code. add tests for write_data
2021-04-24 07:14:04 -04:00
2c4017d3ac
add test for write_dump cfg
2021-04-24 07:13:26 -04:00
9e7d26351d
tweak epsilon for GPU package tests
2021-04-24 07:13:06 -04:00
6a9b441331
add tests for writing restart files
2021-04-24 01:22:23 -04:00
cf81f72aad
more tests for tokenizer classes
2021-04-24 01:22:06 -04:00
8c50f56548
add unit test for TextFileReader class
2021-04-24 00:31:46 -04:00
9cdd926763
remove excess quotes
2021-04-23 19:19:41 -04:00
a438c2bc7b
tweak unit test YAML epsilon values for GPU mixed precision tests to pass
2021-04-23 05:43:03 -04:00
a49d783e16
check formatting and multiple arguments when using utils::logmesg()
2021-04-22 05:44:35 -04:00
7e2d40c5fa
Merge pull request #2642 from rbberger/balance_tests
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MPI balancing testing
2021-04-21 16:00:01 -04:00
1656661fc2
Disable rcb_min_size test
2021-04-21 11:17:32 -04:00
2e01bb8f62
Merge pull request #2713 from rbberger/collected_small_changes
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Collected small changes
2021-04-20 20:40:49 -04:00
7696d0f84c
Add ENVIRONMENT to RunLammps test
2021-04-20 15:40:59 -04:00
fcf17a709e
Don't store group if initial assignment failed
2021-04-20 14:24:07 -04:00
8826e962de
Add info message when death test is skipped
2021-04-20 14:06:08 -04:00
a6efdf9b9f
Clean up molecule files creation
2021-04-19 15:14:01 -04:00
bc4b4147ef
Avoid filename collisions with AtomStyles test
2021-04-19 14:57:41 -04:00
c46f1b5241
modify tests for hybrid pair styles to include some pair_coeff none settings
2021-04-19 08:51:53 -04:00
f3eb577b3b
update hybrid tests, enable test for hybrid with CPU neigh list and no multiples of the same style
2021-04-19 01:14:25 -04:00
9469cba081
enable GPU unit test for pair style lj/charmm/coul/charmm
2021-04-19 00:34:22 -04:00
f1680b0fdd
enable unit test runs on the GPU for tersoff and tersoff/zbl
2021-04-18 20:43:48 -04:00
f07fa3d266
Merge pull request #2704 from rbberger/compress_package
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More refactoring of COMPRESS package
2021-04-12 23:01:35 -04:00
