b22797b752
refactor
2024-10-09 16:13:48 -04:00
fea0271d5a
Update region_block_kokkos.cpp
2024-10-09 15:36:30 -04:00
2d94187606
sub3() and dot3()
2024-10-09 15:34:31 -04:00
e48d2f9a31
Update fix_wall_region_kokkos.cpp
2024-10-09 15:26:34 -04:00
08b0e8eab9
inside_face()
2024-10-09 15:19:05 -04:00
e4a92f96e1
match_kokkos()
2024-10-09 15:15:23 -04:00
b4b49f5dec
point_on_line_segment()
2024-10-09 15:11:24 -04:00
1427ca1ff4
forward_transform() and find_closest_point()
2024-10-09 15:04:07 -04:00
0007e568fc
KOKKOS_FUNCTION
2024-10-09 14:46:49 -04:00
ae0627b2f1
remove warning
2024-10-09 14:43:18 -04:00
5d90879f35
cleanup
2024-10-09 14:14:23 -04:00
bb5b8a1d34
functor templated on RegBlockKokkos and RegSphereKokkos
2024-10-09 13:50:17 -04:00
9d85a04573
Corrected most of Yotam's comments, left some for discussion
2024-10-09 17:40:23 +03:00
1fc7cca77c
cr
2024-10-09 15:15:36 +03:00
c645a6b841
more
2024-10-09 11:59:23 +03:00
85a0b668c3
remove files autogenerated upon build
2024-10-09 11:57:45 +03:00
e6c9353ccf
add missing dependency
2024-10-09 00:30:46 -04:00
bea76778bd
silence compiler warning
2024-10-08 22:45:37 -04:00
80c8ecb7e7
Update fix_recenter_kokkos.cpp
2024-10-08 19:01:36 -04:00
1af3de1fad
Update fix_recenter_kokkos.cpp
2024-10-08 18:59:17 -04:00
7d9bc3ea24
oops
2024-10-08 18:21:42 -04:00
64499bfcb2
_kokkos
2024-10-08 18:20:58 -04:00
183c99acc8
Update region_sphere_kokkos.h
2024-10-08 18:18:06 -04:00
f7afc63b53
Update region_block_kokkos.h
2024-10-08 18:18:03 -04:00
0f627059fc
dynamic_cast
2024-10-08 18:14:06 -04:00
d13fb58311
surface_kokkos()
2024-10-08 17:55:03 -04:00
c84ed4189d
Merge branch 'collected-small-changes' of github.com:akohlmey/lammps into collected-small-changes
2024-10-08 14:47:51 -04:00
b1928596ae
should include <string> in utils.h
2024-10-08 14:47:11 -04:00
f357e89d19
fixed whitespaces
2024-10-08 12:58:58 -05:00
63a26b1770
add the missing log file using --gen-ref
2024-10-08 12:10:48 -05:00
63649979e3
revert the file names and the upload action step
2024-10-08 10:55:40 -05:00
0e3a6a7190
turned on verbose to check tolerances and also print that info out to the run.log file
2024-10-08 10:51:12 -05:00
54e7a8a4c7
The primitive estimator works with the new implementation of the cyclic energies!
2024-10-08 14:08:03 +03:00
e9c2a12f99
Changed the evaluation of the cyclic energies such that they don't include internal beads and communication between processors.
...
It produces exactly the same trajectories for the first few thousand steps, and the spring energy is consistent with the previous code.
The primitive estimator needs to be adjusted...
2024-10-08 12:06:06 +03:00
e5ba430f5f
re-enable KokkosOpenMP test
2024-10-07 20:07:09 -04:00
f19df37de3
Merge branch 'collected-small-changes' of github.com:akohlmey/lammps into collected-small-changes
2024-10-07 19:57:43 -04:00
f02b3aaf95
reset container with .clear()
2024-10-07 19:56:04 -04:00
a53840014c
Update in.wall.sphere
2024-10-07 18:17:14 -04:00
4ed7528ddc
add_contact()
2024-10-07 17:57:32 -04:00
e188b7d75f
remove "tags: generated"
2024-10-07 17:56:59 -04:00
9d2e892c0e
Update fix_wall_region_kokkos.cpp
2024-10-07 17:46:15 -04:00
900f472ea6
test logic to run with different nprocs than the ref files if nprocs is specified
2024-10-07 16:39:26 -05:00
5a7dd950fc
Update region_sphere_kokkos.cpp
2024-10-07 17:28:45 -04:00
941b3dd566
add two examples for regression testing
2024-10-07 17:15:09 -04:00
b16ddfcdd4
add d_contact
2024-10-07 17:05:33 -04:00
74ac224dd9
Create fix-timestep-wall_region_sphere.yaml
2024-10-07 17:05:08 -04:00
e44d366d92
Update region.cpp
2024-10-07 17:04:28 -04:00
4492ecaf39
Update region_sphere.cpp
2024-10-07 17:04:21 -04:00
09a115cb89
add and switch to a workflow file dedicated for OpenMP backend for KOKKOS
2024-10-07 15:04:28 -05:00
0e1ee42b89
Update region_block_kokkos.cpp
2024-10-07 15:12:10 -04:00
