|
|
cf51c94be0
|
update unit test for presence of Pair::extract() function in pair style kim
|
2023-05-15 02:02:36 -04:00 |
|
|
|
0facd4cf66
|
support vector variable definitions with embedded blanks
|
2023-05-05 01:06:55 -04:00 |
|
|
|
366b64571d
|
add a few unit tests for static vector style variables
|
2023-05-04 20:44:46 -04:00 |
|
|
|
67b6a1de70
|
fixup broken unit tests
|
2023-05-04 20:09:57 -04:00 |
|
|
|
3f8cd4577c
|
update unit test
|
2023-05-02 16:20:29 -04:00 |
|
|
|
d2bb1b420d
|
simplify and cleanup
|
2023-05-02 11:49:13 -04:00 |
|
|
|
12135bac77
|
add unit tests for compute count/type
|
2023-05-02 10:22:37 -04:00 |
|
|
|
08bf9e2513
|
apply clang-format
|
2023-04-16 12:35:41 -04:00 |
|
|
|
a7460445bb
|
simplify and modernize. apply clang-format.
|
2023-04-16 12:14:59 -04:00 |
|
|
|
f7d6592aa6
|
avoid crash in Pair::single() test on certain inpus
|
2023-04-08 04:00:10 -04:00 |
|
|
|
70f1d17495
|
implement lj/expand/sphere
|
2023-04-07 18:33:06 -04:00 |
|
|
|
6b2896db75
|
update
|
2023-04-07 18:19:18 -04:00 |
|
|
|
e82fd31bd4
|
rename lj/sphere to lj/cut/sphere and add (yet non-functional) lj/expand/sphere
|
2023-04-06 08:18:56 -04:00 |
|
|
|
dfd16c95ff
|
Merge branch 'develop' into pair-lj-lepton-sphere
|
2023-04-03 17:46:34 -04:00 |
|
|
|
f16c8b4cc4
|
recognize "Maintenance" tag in addition to "Development"
|
2023-03-31 09:36:00 -04:00 |
|
|
|
2ac369a3e1
|
accommodate for Development marker in RunCouple* unit tests
|
2023-03-31 09:23:23 -04:00 |
|
|
|
9021129799
|
accommodate for "Development" marker in simple RunLammps unit tests
|
2023-03-31 08:10:27 -04:00 |
|
|
|
3d652af44d
|
add unit tests for lj/sphere and lepton/sphere
|
2023-03-30 14:44:14 -04:00 |
|
|
|
68d79274cd
|
Merge branch 'develop' into pair_style_tutorial
|
2023-03-28 18:18:23 -04:00 |
|
|
|
7d5d2b909f
|
Merge pull request #3698 from yafshar/set-command-type-label
use of type labels in set commands
|
2023-03-28 16:07:14 -04:00 |
|
|
|
7738b67737
|
Adding mass to python numpy unittest of KE
|
2023-03-28 09:17:11 -04:00 |
|
|
|
d3a766af2d
|
Merge branch 'develop' into pair_style_tutorial
|
2023-03-27 22:46:57 -04:00 |
|
|
|
5390b2b0aa
|
fix typo in test
|
2023-03-25 22:01:17 -04:00 |
|
|
|
72783d6cfd
|
Merge branch 'develop' into pair_style_tutorial
|
2023-03-24 19:28:04 -04:00 |
|
|
|
23524c6655
|
use of type labels in set commands
|
2023-03-24 06:55:52 -07:00 |
|
|
|
1666f5f903
|
Merge branch 'develop' into refactor-compute-chunk
|
2023-03-23 18:34:00 -04:00 |
|
|
|
0007b7c9fe
|
Merge branch 'develop' into pair_style_tutorial
|
2023-03-23 01:23:36 -04:00 |
|
|
|
e317b0eb7e
|
update kim unit tests for recent changes, make variable for extended test an option
|
2023-03-20 07:11:47 -04:00 |
|
|
|
29e724b810
|
add unit test for compute dipole/tip4p/chunk
|
2023-03-18 11:14:32 -04:00 |
|
|
|
aca8bc4ea9
|
Merge branch 'develop' into pair_style_tutorial
|
2023-03-17 05:42:08 -04:00 |
|
|
|
5e6004961d
|
Merge branch 'develop' into collected-small-changes
|
2023-03-16 18:00:36 -04:00 |
|
|
|
224b1369a1
|
Merge pull request #3685 from akohlmey/more-tip4p-support
Add TIP4P versions for compute dipole, compute dipole/chunk and fix efield
|
2023-03-16 17:59:58 -04:00 |
|
|
|
180ed2553c
|
Merge branch 'develop' into collected-small-changes
|
2023-03-16 12:54:48 -04:00 |
|
|
|
fa9062a87e
|
make Force::special_lj and Force::special_coul accessible through the library interface
|
2023-03-15 18:39:32 -04:00 |
|
|
|
32c695a7d4
|
tag all TIP4P related pair style tests as unstable
|
2023-03-15 12:17:57 -04:00 |
|
|
|
a8c1359c54
|
make energy handling consistent for variable field
|
2023-03-11 18:56:29 -05:00 |
|
|
|
251fac2c60
|
add unit tests for fix efield/tip4p
|
2023-03-11 18:43:46 -05:00 |
|
|
|
416df96c1b
|
add extract support for TIP4P parameters to cutoff versions
|
2023-03-11 18:12:09 -05:00 |
|
|
|
4220944ace
|
cosmetic
|
2023-03-08 00:25:08 -05:00 |
|
|
|
fc8a048662
|
add unit test
|
2023-03-07 21:22:57 -05:00 |
|
|
|
2f0aff7b78
|
Merge remote-tracking branch 'github/develop' into pair_style_tutorial
|
2023-03-02 10:34:31 -05:00 |
|
|
|
11172c1949
|
make biga0 and r0 accessible via Pair::extract() and add pair style to table in fix adapt
|
2023-02-28 21:50:44 -05:00 |
|
|
|
c8f3f4b173
|
add born/gauss pair style (for modeling liquid mercury)
|
2023-02-27 01:58:36 -05:00 |
|
|
|
6b9911dd74
|
update unit test for correct fix wall/morse
|
2023-02-23 15:28:21 -05:00 |
|
|
|
34430c1047
|
add unit tests for fix wall/lepton and fix wall/table
|
2023-02-23 00:57:41 -05:00 |
|
|
|
4d5d04aba3
|
cosmetic
|
2023-02-10 05:09:22 -05:00 |
|
|
|
7fa298f2ef
|
consistently support special_bonds settings in pair style gauss
|
2023-02-10 04:47:19 -05:00 |
|
|
|
f717debbd4
|
use same main() function as with c-library interface.
|
2023-02-02 21:16:20 -05:00 |
|
|
|
8a0e9f6018
|
add tests for gathering angles, dihedrals, impropers from fortran
|
2023-02-02 20:58:47 -05:00 |
|
|
|
5797ba5bcf
|
convert Fortran version of lammps_gather_bonds() test to be similar to C version
|
2023-02-02 19:10:51 -05:00 |
|
