de828fceaf
test for cosine/squared
2020-08-03 20:48:11 -04:00
0db1c66b03
triclinic compatibility
2020-08-03 20:16:20 -04:00
33aa96b1bf
test for buck/mdf, fixed bug in broadcasting inner cutoff, typos in doc
2020-08-03 20:07:24 -04:00
6576c4cbf3
Merge pull request #2260 from akohlmey/collected-small-changes
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Collected small changes
2020-08-03 18:02:17 -04:00
ca7039aa96
Merge pull request #2271 from abhiShandy/pair-tests-Aug3
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Unit tests for born/coul, ufm, yukawa, soft
2020-08-03 17:23:22 -04:00
4126ba24c1
Move timespec2seconds to utils
2020-08-03 16:54:53 -04:00
436951fb34
Merge pull request #2270 from akohlmey/check-test-coverage
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Add utility to check for missing force style tests
2020-08-03 16:47:49 -04:00
851a22802e
add tests for pair style colloid in variants in several neighbor list and comm variants
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this does 3 tests:
- regular neighborlist binning with single cutoff communication
- comm style brick with multi-cutoff neighborlists and communication
- comm style tiled with multi-cutoff neighborlists and communication
2020-08-03 16:16:56 -04:00
7ed748118e
add exception for single test for colloid pair style
2020-08-03 16:07:32 -04:00
2ffb29f65e
Merge remote-tracking branch 'origin/master' into refactor-reading
2020-08-03 11:50:23 -04:00
865e853a41
Refactor check_tests.py
2020-08-03 10:37:45 -04:00
f3d7f0be2d
update test reference data for pair style ufm
2020-08-03 08:01:37 -04:00
86c6efc04c
sort list of missing styles alphabetically
2020-08-03 07:30:15 -04:00
bb183345bb
remove obsolete function
2020-08-03 07:29:53 -04:00
10c0b8d90e
passing test for soft
2020-08-03 06:23:23 -04:00
80ceff55d5
failing test for UFM, with cosmetic change in its CPP, and doc correction
2020-08-03 06:01:59 -04:00
8eb84229bd
passing tests for born-coul, gauss and yukawa
2020-08-03 05:59:44 -04:00
90028a3c71
properly handle hybrid styles when checking for missing tests
2020-08-03 00:43:41 -04:00
896a08883b
add a custom python script to check the completeness of tests inputs
2020-08-03 00:12:51 -04:00
bbb4c39692
Merge branch 'wip-tests' into force-tests
2020-08-01 14:53:10 -04:00
eb91c6feb6
correct data file output format for ZBL style. update reference output.
2020-08-01 14:43:14 -04:00
cc87557fa7
tweak parameters for lj/expand to stabilize test run
2020-08-01 14:24:50 -04:00
6827eb80a8
fix missing initialization bug in lj/cut/coul/wolf and update reference data
2020-08-01 14:18:40 -04:00
a4db52c30f
tweak potential parameters for better stability of test run
2020-08-01 14:05:27 -04:00
34279840fc
unit tests for few buck/coul and born/coul; remove mixing from buck
2020-08-01 08:52:07 -04:00
d15db7b5a7
fix the atomic numbers in ZBL test
2020-08-01 07:49:06 -04:00
86c53cb211
unit tests for few LJ derivatives and ZBL
2020-08-01 07:39:33 -04:00
2a487f5f47
unit tests for beck, morse, and few LJ derivatives
2020-08-01 07:27:39 -04:00
74f50ed1bd
Merge branch 'master' into collected-small-changes
2020-07-31 21:51:10 -04:00
59b5c7c154
Merge pull request #2264 from akohlmey/fix_ttm_parser_update
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Refactor parsing of input files in fix ttm and fix ttm/mod
2020-07-31 18:14:54 -04:00
067540fef1
diversify exponents in mie/cut test
2020-07-31 12:11:24 -04:00
1017b76c71
reformat pair_coeff section in buck test for better readability
2020-07-31 12:08:00 -04:00
12924346ac
unit tests for born, buck, lj96 and mie cut
2020-07-31 11:46:51 -04:00
814e2e9aaf
turn off optimization for Clang compilers when compiling atom style tester
2020-07-30 23:41:24 -04:00
4b91ab0d23
add utils::trim() function to remove leading and trailing whitespace from string
2020-07-30 23:39:37 -04:00
f0e6651780
Merge branch 'first-test' of github.com:abhiShandy/lammps into collected-small-changes
2020-07-30 11:46:06 -04:00
facb2f3c27
fix error in determining A/B parameters. outputs now match lj/mdf as expected.
2020-07-30 11:44:37 -04:00
36f4e6789a
simple test for pair-born
2020-07-30 03:30:57 -04:00
8c849c0104
add test file for pair style lennard/mdf
2020-07-29 16:41:11 -04:00
780fb5b376
add test function to validate updated topology data after reset_atom_ids
2020-07-27 10:43:37 -04:00
68df62b869
support verbose option
2020-07-20 20:40:20 -04:00
5b4275002c
Merge branch 'master' into kim_fix
2020-07-20 20:27:41 -04:00
1f819ca333
update the kim_param command test
2020-07-19 18:35:20 -05:00
3390e1d4c5
starting of the kim_property command test
2020-07-19 18:10:00 -05:00
674514f822
update the kim_param command test
2020-07-19 10:35:00 -05:00
262ce37eed
silence compiler warning
2020-07-19 07:19:44 -04:00
82f5bbf859
update the kim_interactions command test
2020-07-18 20:31:36 -05:00
894a7e4bce
update test
2020-07-18 21:10:22 -04:00
bc47ec5027
update the kim_init command test
2020-07-18 17:23:24 -05:00
859da19869
consistently skip death tests at runtime when using OpenMPI without exceptions
2020-07-18 13:09:17 -04:00
