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
...
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
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
f3d7f0be2d
update test reference data for pair style ufm
2020-08-03 08:01:37 -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
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
db289ba0b3
update all force style reference results after refactoring of test codes
2020-07-12 20:36:10 -04:00
38011f6ac4
add test for pair style kim
2020-07-12 17:21:35 -04:00
17d59a4342
small tweak
2020-07-11 13:06:58 -04:00
69052fa337
add test for lj/mdf
2020-07-05 00:28:02 -04:00
4dee43cc2d
adjust accepted relative error for compiler optimization, make pppm/disp inputs 3x faster
2020-07-05 00:10:47 -04:00
84ded03e24
add tests for some core-shell package pair styles
2020-07-04 23:43:15 -04:00
585466929f
add tests for pppm/disp/tip4p and lj/long/tip4p/long
2020-07-04 23:21:57 -04:00
6e580bbdb5
add tests for long-range dispersion styles
2020-07-04 22:55:59 -04:00
df40ffddf3
add some more tests for pair styles
2020-07-04 17:24:28 -04:00
ffe8e1c0e9
add tests for kspace styles using the pair style tester tool
2020-07-04 17:22:27 -04:00
ce4ca0e640
tweak epsilon to make test pass with optimization
2020-06-29 19:35:02 -04:00
5c08ce0818
nb3b/harmonic parameters are in real units
2020-06-29 13:28:32 -04:00
c989db60a7
refactor EAM family of potentials to convert the potential data and leave compute functions alone
2020-06-25 15:48:46 -04:00
9e08a739b5
add unit conversion test files for styles with conversion in the compute function
2020-06-25 12:28:06 -04:00
a7d2b792a8
Merge branch 'master' into test-updates
2020-06-24 17:25:55 -04:00
b8866c9acc
add tests for MLIAP (same data as SNAP)
2020-06-23 09:35:00 -04:00
66414067c8
add tests for SNAP package
2020-06-23 06:51:42 -04:00
