e5a01026a7
add unit tests for fix move
2022-04-03 03:19:47 -04:00
3ba7b8c24c
add star_subst() utility function that replaces a '*' in a string with a number
2022-03-28 22:47:20 -04:00
51c41f09bf
recover unit tests for variables
2022-03-28 09:21:25 -04:00
4399559259
adjust epsilon for unit test on MacOS
2022-03-18 23:37:54 -04:00
ad5235a764
update yaml file for force style unit tests with higher precision numbers
2022-03-18 22:44:50 -04:00
c80a182150
relax epsilon for MSVC++ test
2022-03-18 21:20:44 -04:00
4f3a9f9b63
Merge branch 'develop' into neigh-request-refactor
2022-03-18 19:23:51 -04:00
58030009da
new math constants: DEG2RAD and RAD2DEG
2022-03-17 19:44:34 -04:00
982a5719c4
correct mixed up force and energy in pair style harmonic/cut
2022-03-17 12:18:36 -04:00
9dfb099197
change platform::mkdir() to create entire path like "mkdir -p"
...
update the documentation of the shell command to current state
and specifically explain the difference between built-in and
external commands and correct where built in commands were described
as calling external commands.
2022-03-17 11:34:50 -04:00
25d8950f94
Merge branch 'develop' into neigh-request-refactor
2022-03-15 11:39:45 -04:00
06e7bd8144
follow KOKKOS' advice about CPU binding of threads
2022-03-10 01:18:15 -05:00
374917fb6f
tweak platform tests for CPU time to avoid bogus failures on windows
2022-03-07 21:42:02 -05:00
bbcffd4b5a
Merge pull request #3163 from akohlmey/test-compute
...
Add unit tests for computes
2022-03-07 13:49:07 -05:00
87c96aeeb1
add tests for more compute styles
2022-03-05 10:07:54 -05:00
5c8f506edf
add unit test input
2022-03-04 16:04:04 -05:00
b94995cf5b
add some TALLY package compute. simplify some code with convenience functions
2022-03-04 06:24:37 -05:00
550d523c9e
add gyration
2022-03-04 04:41:43 -05:00
3bfb03bcb8
test compute com and compute dipole
2022-03-03 17:27:11 -05:00
e4d920d582
add minimal test for testing compute styles that compute global scalars
2022-03-03 17:11:01 -05:00
f3e14e7b00
Mark MolPairStyle:soft unstable
2022-02-17 12:58:30 -05:00
d95f0b3cd5
Adjust epsilon in force-style test
2022-02-16 17:43:16 -05:00
793d76c546
Adjust epsilon in force-style tests
2022-02-16 17:40:34 -05:00
55703f9027
update class instantiation unit test for kokkos to adapt to thread availability
2022-02-15 21:54:21 -05:00
e3222a4bd0
Merge pull request #3126 from Bibobu/EAM_alloy_python_script
...
Added Python version of Zhou04_create_v2.f in eam_database
2022-02-14 19:48:51 -05:00
c65dbd338b
change create_eam.py so it can be called as a function from another script
2022-02-14 17:44:33 -05:00
a77680ac7b
Merge branch 'develop' into python_use_setuptools
...
# Conflicts:
# cmake/CMakeLists.txt
2022-02-12 00:37:03 -05:00
08b16f1f23
Prevent GTest and GMock from being installed
2022-02-10 11:27:32 -05:00
b01716472b
Merge branch 'develop' into collected-small-changes
2022-02-07 19:59:10 -05:00
b75c306543
Merge pull request #3035 from rbberger/kokkos_unittests
...
Add force style tests for Kokkos OpenMP
2022-02-07 19:57:09 -05:00
2445f85dde
Merge branch 'develop' into collected-small-changes
2022-02-07 17:08:03 -05:00
044ada9f2b
update googletest library to current snapshot
2022-02-07 16:46:32 -05:00
e4b5245f4d
Merge pull request #3116 from akohlmey/build-kokkos-staticlib
...
Build KOKKOS package updates for Python module and Windows compatibility
2022-02-07 16:36:46 -05:00
35a4c0f501
skip tests that fail with Kokkos+OpenMP
2022-02-07 16:15:32 -05:00
a7084c8fdb
Merge remote-tracking branch 'origin/develop' into kokkos_unittests
2022-02-07 13:04:59 -05:00
59def25eb6
tweak test epsilon for portability
2022-02-05 16:08:43 -05:00
8fbaaffd3e
remove incorrect scope
2022-02-03 17:16:20 -05:00
75f389f70c
Enable PyLammps unit test, require NumPy
2022-02-03 16:24:43 -05:00
f804ea89b9
skip force test requiring cp command
2022-02-03 16:13:07 -05:00
2a7823686d
use introspection to check for Kokkos::OpenMP only when it is enabled
2022-02-03 16:08:00 -05:00
82ac7c9e12
Merge remote-tracking branch 'origin/develop' into python_use_setuptools
2022-02-02 11:47:13 -05:00
d9c51ca124
Make sure LAMMPS and unit tests use same Python version
2022-02-02 11:44:25 -05:00
172f88a0d5
Merge pull request #3104 from ohenrich/cg-dna
...
CG-DNA unit test and performance enhancement
2022-02-01 18:30:13 -05:00
9a81dc58a1
Merge remote-tracking branch 'origin/develop' into kokkos_unittests
2022-01-31 11:04:18 -05:00
7ee7d0c570
apply clang-format
2022-01-30 17:18:40 -05:00
a8a76dbbe2
port python module and package tests to be windows compatible. refactor environment processing
2022-01-30 16:48:47 -05:00
2e39971cbc
re-enable python module tests on windows
2022-01-30 16:48:11 -05:00
579ac61b5b
refactor environment variable settings. make windows compatible
2022-01-30 16:47:52 -05:00
99cb494594
remove automatic generated tag
2022-01-30 07:08:15 -05:00
4bb7457d6e
add option to allow skipping tests by setting a no${CMAKE_SYSTEM_NAME} tag
2022-01-30 05:14:57 -05:00
