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
ef8b619840
fix missing support for nozforce in ewald/omp
2020-08-03 23:21:54 -04:00
4e46c0aef4
add missing born/coul/long variant using tabulation
2020-08-03 23:02:29 -04:00
c2ed040529
simplify
2020-08-03 22:49:21 -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
d89a047461
Simplify write data code
2020-08-03 22:08:06 -04:00
6bc65dc14c
reference typos in doc
2020-08-03 20:49:02 -04:00
a921c44a4f
fix bug in writing data
2020-08-03 20:48:37 -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
...
Unit tests for born/coul, ufm, yukawa, soft
2020-08-03 17:23:22 -04:00
9cd0a52c44
Remove old comment
2020-08-03 16:58:56 -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
...
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
...
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
944ac44b44
Update pair coul streitz
2020-08-03 13:13:47 -04:00
2ffb29f65e
Merge remote-tracking branch 'origin/master' into refactor-reading
2020-08-03 11:50:23 -04:00
23a8b3438d
Merge pull request #2267 from abhiShandy/force-tests
...
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
