|
|
5e16a21d9e
|
lower epsilon one more time
|
2024-12-17 13:53:35 -05:00 |
|
|
|
1e0a3f4601
|
lower epsilon for macOS
|
2024-12-17 12:15:38 -05:00 |
|
|
|
e45ef5adc0
|
unittest: add Python command_wrapper test
|
2024-12-12 23:27:07 -07:00 |
|
|
|
3aeb64de89
|
rename pair style and fully integrate into build and manual
|
2024-12-11 15:33:39 -05:00 |
|
|
|
335069f1ca
|
implemented d3 pair style
|
2024-12-10 17:25:39 +01:00 |
|
|
|
3f78ee72c6
|
get access to the applied external force from the fix
|
2024-11-24 22:25:38 -05:00 |
|
|
|
4dd1448dd0
|
support providing spring constant as equal or atom style variable
|
2024-11-15 14:12:19 -05:00 |
|
|
|
70f41341c9
|
add unit test for qtpie/reaxff
|
2024-11-15 13:26:34 -05:00 |
|
|
|
2bcd6d1f73
|
Name change, add example
|
2024-11-12 11:40:07 -05:00 |
|
|
|
3acb0243a7
|
Merge branch 'lammps:develop' into develop
|
2024-11-12 11:08:21 -05:00 |
|
|
|
1ec7ba547d
|
Merge branch 'develop' into alphataubio-kokkos-fixes
|
2024-10-22 14:47:19 -04:00 |
|
|
|
59bbc5bcc1
|
Merge pull request #4356 from evoyiatzis/patch-1
add extract() function to few angle and bond styles
|
2024-10-14 19:25:29 -04:00 |
|
|
|
74af88bafd
|
unit test for extract() in angle-amoeba.yaml
|
2024-10-14 09:43:07 +02:00 |
|
|
|
f8a8783044
|
Merge branch 'develop' into alphataubio-kokkos-fixes
|
2024-10-12 20:09:59 -04:00 |
|
|
|
1ac351c84e
|
unit test for extract() in angle-cross.yaml
|
2024-10-12 15:19:08 +02:00 |
|
|
|
e3ab697dd2
|
unit test for extract() in angle-gaussian.yaml
|
2024-10-11 19:49:24 +02:00 |
|
|
|
ae652b31da
|
unit test for extract() in bond-gaussian.yaml
|
2024-10-11 19:48:18 +02:00 |
|
|
|
391f55b377
|
unit test for extract() in bond-nonlinear.yaml
|
2024-10-11 11:02:55 +02:00 |
|
|
|
856fd9d977
|
unit test for extract() in bond-morse.yaml
|
2024-10-11 11:01:57 +02:00 |
|
|
|
8bc89ef8a7
|
unit test for extract() in bond-class2.yaml
|
2024-10-11 10:59:29 +02:00 |
|
|
|
c8241dcab6
|
unit test for extract() in angle-class2_p6.yaml
|
2024-10-11 10:58:32 +02:00 |
|
|
|
56cc9d03bd
|
skip tests that are unstable on GPU
|
2024-10-10 06:11:32 -04:00 |
|
|
|
badb3eae5f
|
add tests with region sphere
|
2024-10-09 18:06:24 -04:00 |
|
|
|
e6c9353ccf
|
add missing dependency
|
2024-10-09 00:30:46 -04:00 |
|
|
|
e5ba430f5f
|
re-enable KokkosOpenMP test
|
2024-10-07 20:07:09 -04:00 |
|
|
|
e188b7d75f
|
remove "tags: generated"
|
2024-10-07 17:56:59 -04:00 |
|
|
|
74ac224dd9
|
Create fix-timestep-wall_region_sphere.yaml
|
2024-10-07 17:05:08 -04:00 |
|
|
|
a8157fc68e
|
relax epsilon for kokkos_omp to pass
|
2024-10-05 16:41:02 -04:00 |
|
|
|
ca6e9abefa
|
update a few more tests for IntelLLVM
|
2024-10-05 03:37:33 -04:00 |
|
|
|
e4dcdcd221
|
skip KokkosOpenMP tests when Kokkos includes GPU support
|
2024-10-05 03:05:04 -04:00 |
|
|
|
cdd538e24e
|
relax epsilon for IntelLLVM compiler
|
2024-10-05 02:41:03 -04:00 |
|
|
|
130548156d
|
Merge branch 'develop' of github.com:lammps/lammps into alphataubio-kokkos-fixes
|
2024-10-04 09:30:33 -06:00 |
|
|
|
13ceebe82c
|
fix recenter test skipped for respa
|
2024-10-03 18:45:52 -04:00 |
|
|
|
1799f887d2
|
Update test_atom_styles.cpp
|
2024-10-03 18:36:39 -04:00 |
|
|
|
86fc79d2de
|
Update fix-timestep-wall_lj93_const.yaml
|
2024-10-03 18:20:09 -04:00 |
|
|
|
6f068fc067
|
Update fix-timestep-wall_region_harmonic.yaml
|
2024-10-03 18:19:53 -04:00 |
|
|
|
bf12caf37a
|
Update fix-timestep-wall_region_lj126.yaml
|
2024-10-03 18:18:02 -04:00 |
|
|
|
c059961b8f
|
Update fix-timestep-wall_region_lj1043.yaml
|
2024-10-03 18:17:39 -04:00 |
|
|
|
81db0a4a80
|
Update fix-timestep-wall_region_morse.yaml
|
2024-10-03 18:16:41 -04:00 |
|
|
|
9ad3e59c8f
|
Update test_atom_styles.cpp
|
2024-10-03 12:38:32 -04:00 |
|
|
|
b5fdd8f0ae
|
Revert "update atom_style template test for added charge"
This reverts commit 3ea74b1725.
|
2024-10-03 10:26:24 -04:00 |
|
|
|
8a7572fd5a
|
Merge pull request #4181 from gplummer317/ctip
Charge Transfer Interatomic Potential (CTIP) pair style and qeq fix
|
2024-10-02 19:26:09 -04:00 |
|
|
|
e61d9f08ee
|
regenerate fix wall/region tests
|
2024-10-01 13:00:59 -04:00 |
|
|
|
8332d89a4a
|
regenerate fix recenter tests
|
2024-10-01 12:46:33 -04:00 |
|
|
|
e32a2fa71a
|
punt again
|
2024-10-01 02:39:17 -04:00 |
|
|
|
9daa1b715a
|
Merge branch 'lammps:develop' into alphataubio-kokkos-fixes
|
2024-10-01 02:13:26 -04:00 |
|
|
|
9f33efc1b9
|
resolve conflict
|
2024-10-01 02:12:49 -04:00 |
|
|
|
b12aeb79b0
|
Merge branch 'develop' into collected-small-changes
|
2024-09-30 22:10:14 -04:00 |
|
|
|
7276d5301b
|
update unit test for change in MS-MEAM
|
2024-09-27 14:18:18 -04:00 |
|
|
|
e29e943ae6
|
apply clang-format
|
2024-09-25 18:48:47 -04:00 |
|
