KOKKOS: bug fixes and test coverage for the KOKKOS package - #55

Open

stanmoore1 wants to merge 126 commits into

claude/kokkos-lammps-merge-verify-298nev

Commits on Sep 3, 2026

the TOUCH keyword requires CMake version 3.24 or later
akohlmey
committed
d8ba392
modernize
akohlmey
committed
acdeab9
apply clang-format and use LAMMPS conventions for initializing pointers
akohlmey
committed
91bd3fc
preferred dispatch not available on ubuntu 22.04LTS with GCC 11.x
akohlmey
committed
f236373
style registry: detect build-configuration guards wrapping whole style headers
akohlmey
committed
6007b42
fix typo and stray comma in the PairPACE constructor initializer list
akohlmey
committed
978483b
include more plugins. TLS support is crucial
akohlmey
committed
ca906df
add false positive
akohlmey
committed
884f5c5
modernize by replacing typedef with using
akohlmey
committed
2fc8f4d
use explicit scoping to indicate that virtual dispatch is not available
akohlmey
committed
ca77504
unittest: add KOKKOS variants to the compute/fix output and minimizer test drivers
stanmoore1
committed
8983f7b
compute ti: accept pair styles with an accelerator suffix
stanmoore1
committed
4bd62e4
compute gyration/shape: accept accelerated variants of compute gyration
stanmoore1
committed
3ecc108
unittest: skip the KOKKOS cases of the compute centroid/stress/atom reference
stanmoore1
committed
38ee04b
sync linux tgz package script with lammps-gui version
akohlmey
committed
a2b904f
update shared linker cache and symlinks on Linux -> fewer crashes
akohlmey
committed
c034cd8
compute temp/sphere, temp/asphere, temp/body: detect a temp/region bias by class, not by name
stanmoore1
committed
89710e8
unittest: add KOKKOS full neighbor list cases to the force style test drivers
stanmoore1
committed
7b1ed2d
unittest: allow running the command and format tests with an accelerator package
stanmoore1
committed
3447077

Commits on Sep 4, 2026

Commits on Sep 5, 2026

Commits on Sep 8, 2026

Commits on Sep 9, 2026

fix baoab: form the noise amplitude without cancellation, skip force/tally with KOKKOS
stanmoore1
committed
b7ac38e
compute pe/atom, stress/atom, centroid/stress/atom: zero ghost entries before a TIP4P reverse communication
stanmoore1
committed
6cd5450
flag slow tests as slow
akohlmey
committed
65f29f9
update unittest YAML file tags
akohlmey
committed
9df17fb
remove some dead code
akohlmey
committed
82d8474
skip failing/crashing tests (for now)
akohlmey
committed
53e25bd
test: cover the self energy of the DSF and Wolf styles as hybrid sub-styles
stanmoore1
committed
71974e2