54b933164f
tweak epsilon
2020-08-07 18:34:39 -04:00
7aae5ba5d1
set molecule ids for testing interlayer potentials
2020-08-07 18:34:25 -04:00
9f469623c0
add test for lj/smooth/linear and gaus/cut
2020-08-07 18:13:58 -04:00
e169a5c785
add tests for pair style coul/streitz
2020-08-07 18:06:57 -04:00
c5cd108113
add tests for coul/shield, coul/slater/cut and coul/slater/long
2020-08-07 16:59:21 -04:00
7d26fbc6e2
add test for pair style coul/diel
2020-08-07 16:51:23 -04:00
0537cc721e
add test for pair style edip/multi
2020-08-07 16:32:53 -04:00
ec0c3d60a8
add test for pair style edip
2020-08-07 16:30:12 -04:00
8e0dccee2c
add test for pair style meam/sw/spline
2020-08-07 16:08:28 -04:00
51decfcf85
add test for pair style meam/spline
2020-08-07 14:53:11 -04:00
1c33bff557
add test for pair style yukawa/colloid
2020-08-07 12:04:23 -04:00
efa8b3486f
update colloid test template so it can handle different atom styles
2020-08-07 12:04:06 -04:00
15e969ca5b
add triclinic support to ewald/omp
2020-08-07 11:11:52 -04:00
094f52c378
make space style msm an explicit dependency
2020-08-07 00:07:36 -04:00
7d9f6b0dc5
add tests for pair styles from USER-SDK
2020-08-07 00:07:18 -04:00
a42365bf90
add support enforce writing a data file with pair ij as required by sdk styles
2020-08-07 00:05:34 -04:00
c6d5715ea1
add tests for meam/c
2020-08-06 23:12:16 -04:00
522a76694f
test pppm with triclinic cell
2020-08-06 21:52:37 -04:00
b91419397d
update (some) kspace tests to run faster
2020-08-06 21:49:03 -04:00
cd31006006
add test for pair style python
2020-08-06 17:53:11 -04:00
ec0b3ae8d2
add test for pair style tip4p/cut
2020-08-06 16:54:39 -04:00
e1219399b4
add tests for buck/long/coul/long
2020-08-06 16:26:37 -04:00
ad71475e91
more tests
2020-08-06 16:09:47 -04:00
0d677321d8
more tests for coreshell
2020-08-06 15:50:31 -04:00
ad9483343c
reformat pair_coeff section
2020-08-06 15:49:31 -04:00
e93e49a777
restore printing alphabetically sorted lists of missing styles
2020-08-06 15:30:52 -04:00
e777454888
add unittest for pppm/tip4p with kspace_modify diff ad and fix related bug in pppm/tip4p/omp
2020-08-06 14:42:15 -04:00
c3075250ee
Merge pull request #2273 from abhiShandy/pair-tests-aug4
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Bunch of units tests for pair-style, angle-style, bond-style
2020-08-05 22:09:28 -04:00
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
