f895904d2c
Merge branch 'pair-tests-aug4' of github.com:abhiShandy/lammps into pair-tests-aug4
2020-08-04 02:18:06 -04:00
5592bac69c
Merge branch 'bond-styles-Aug4' into pair-tests-aug4
2020-08-04 02:17:06 -04:00
59c5a62a00
Merge branch 'angle-tests-Aug4' into pair-tests-aug4
2020-08-04 02:16:57 -04:00
feadfaf9be
unit tests for angle-class2/p6, angle-cross and angle-mm3
2020-08-04 02:15:11 -04:00
eed7113506
tests for fene, fene/expand
2020-08-04 01:57:23 -04:00
f407db6198
add test for lj/cut/tip4p/cut
2020-08-04 00:11:14 -04:00
b217375744
add tests with AD instead of IK
2020-08-03 23:45:46 -04:00
83519290e7
add kspace tests with slab correction and pppm/stagger
2020-08-03 23:31:32 -04:00
4e46c0aef4
add missing born/coul/long variant using tabulation
2020-08-03 23:02:29 -04:00
89d85436f1
update reference data for triclinic case
2020-08-03 22:42:18 -04:00
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
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
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
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
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
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
3847a3000c
paranoia
2020-07-12 21:40:30 -04:00
db289ba0b3
update all force style reference results after refactoring of test codes
2020-07-12 20:36:10 -04:00
24b5cd7dec
rename test programs to be consistent with the other programs in the unittest tree
2020-07-12 19:22:14 -04:00
9cbb2e9df5
refactor force-style tester programs to get rid of stringstream and local buffers
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this uses now fmtlib and also outputs forces sorted by atom id
similarly, for all tests it is make certain that the local tag variable is updated
2020-07-12 19:17:51 -04:00
