f4aede49dc
Merge branch 'master' into multi-comm-tiled
2020-08-03 22:37:23 -04:00
ea900b3482
add test input template for tiled with triclinic and multi-cutoff
2020-08-03 22:17:04 -04:00
0db1c66b03
triclinic compatibility
2020-08-03 20:16:20 -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
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
6dcd962718
fix indentation and whitespace
2020-08-03 16:09:11 -04:00
a6b3ee7a07
fix bugs in comm style tiled with multi-cutoff
2020-08-03 16:08:13 -04:00
7ed748118e
add exception for single test for colloid pair style
2020-08-03 16:07:32 -04:00
8d406403bb
fix typo in manual
2020-08-03 16:07:06 -04:00
d0be219419
Refactor check-styles.py
2020-08-03 14:26:55 -04:00
9db3004d0c
Merge branch 'master' into multi-comm-tiled
2020-08-03 14:08:53 -04:00
f9d1a914fb
Update check-packages.py
2020-08-03 13:49:37 -04:00
4549493145
Refactor check-packages.py
2020-08-03 13:47:40 -04:00
23a8b3438d
Merge pull request #2267 from abhiShandy/force-tests
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unit tests for beck, morse, few LJ derivatives, few buck/coul and born/coul
2020-08-03 11:41:16 -04:00
d09d40af9d
make check for alternate linke more restrictive: also check for linker binary.
2020-08-03 11:36:02 -04:00
865e853a41
Refactor check_tests.py
2020-08-03 10:37:45 -04:00
9bc1da64fb
pair style gauss does not apply special_bonds
2020-08-03 08:42:36 -04:00
7e5e741ea1
update code for ufm/gpu to match changes in base class where uf4 is removed
2020-08-03 08:12:09 -04:00
d271ee65e8
Merge branch 'pair-tests-Aug3' of github.com:abhiShandy/lammps into pair-tests-Aug3
2020-08-03 08:03:01 -04:00
f3d7f0be2d
update test reference data for pair style ufm
2020-08-03 08:01:37 -04:00
69688bbc1a
must initialize scale array entries when using mixed parameters
2020-08-03 08:01:13 -04:00
c171b2ceda
fix incomplete restart bug in pair style ufm
2020-08-03 08:00:54 -04:00
ad6b37d688
bug in forcelj of gauss_omp
2020-08-03 08:00:41 -04:00
d241b17c8e
remove unused setting and array
2020-08-03 07:44:32 -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
4c3dc9566c
need to explicitly clamp the forces and energy in single function to zero at (implicit) pairwise cutoff
2020-08-01 14:05:04 -04:00
891be9313a
fix parameters initialization bug in pair style lj/cubic
2020-08-01 13:37:07 -04:00
7158f47157
bugfix for pair style buck/coul/cut
2020-08-01 11:15:07 -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
729cc81f31
make more use of utils::logmesg()
2020-07-31 22:16:06 -04:00
74f50ed1bd
Merge branch 'master' into collected-small-changes
2020-07-31 21:51:10 -04:00
75dcd9ae29
Merge pull request #2266 from Vsevak/fix_opencl
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Fix handling of CL_DEVICE_TYPE flags
2020-07-31 21:50:33 -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
b6b5d369b4
Merge pull request #2265 from abhiShandy/easy-pairs
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Unit tests for born, buck, lj96 and mie cut
2020-07-31 15:45:14 -04:00
