CPU code looks correct for base case - #42

Closed

stanmoore1 wants to merge 32 commits into

claude/gracious-knuth-1c23ns

Commits on Aug 8, 2023

CPU code looks correct for base case
anjohan
committed
9d864bd
Merge branch 'develop' of github.com:anjohan/lammps into develop
anjohan
committed
18e1e4b

Commits on Aug 14, 2023

added necessary mathextra (from #1680) and domain functions, still correct on CPU
anjohan
committed
29408d6

Commits on Aug 17, 2023

Commits on Dec 19, 2023

fix segfault
anjohan
committed
fa5f13f

Commits on Feb 19, 2025

fix for special case of receiving 0 atoms from neighbor in unpack forward and pack reverse
anjohan
committed
62fd280

Commits on Feb 25, 2025

add body sendlist setup and body communication to setup()
anjohan
committed
07072d4

Commits on Mar 6, 2025

merge develop
anjohan
committed
a2f2a80
Merge remote-tracking branch 'lammps/develop' into develop
anjohan
committed
999cb3f

Commits on May 28, 2025

cleaning and simplifications
anjohan
committed
b5ac23b
Merge remote-tracking branch 'lammps/develop' into develop
anjohan
committed
428fe85

Commits on May 29, 2025

Merge branch 'develop' into develop
anjohan
authored
7ec6317
more cleaning, update docs
anjohan
committed
8805e85
fix make build
anjohan
committed
c6fa6fa

Commits on May 30, 2025

put Body back into FixRigidSmall. Now public to avoid CUDA error about using 'A type that is a private or protected class member' in lambda.
anjohan
committed
c78e019

Commits on Jun 24, 2026

Merge branch 'develop' into fix rigid/small Kokkos port (PR #4609)

claude
and
stanmoore1
committed
084135f
KOKKOS: add angmom_to_omega and q_to_exyz to MathExtraKokkos

claude
and
stanmoore1
committed
8acae2d
KOKKOS: convert fix rigid/small/kk to DualViews and fix for current develop

claude
and
stanmoore1
committed
a5b0690
examples/rigid: add triclinic and partial-rigid Kokkos rigid/small tests

claude
and
stanmoore1
committed
17d2920
KOKKOS: add rigid/{nve,nvt,npt,nph}/small/kk Nose-Hoover integrators

claude
and
stanmoore1
committed
1e258f2
KOKKOS: compute fix rigid/small/kk Langevin thermostat on the device

claude
and
stanmoore1
committed
994bed2
KOKKOS: fix lost atoms in fix rigid/small/kk under MPI (np>1)

claude
and
stanmoore1
committed
f2a086f
KOKKOS: document fix rigid/small/kk host-side design decisions

claude
and
stanmoore1
committed
f749819
KOKKOS: guard against missing body owner in reset_atom2body

claude
and
stanmoore1
committed
aea0bfc
KOKKOS: warn that fix rigid/small/kk Langevin is experimental under MPI

claude
and
stanmoore1
committed
1e53768
doc: document the rigid/{nve,nvt,npt,nph}/small/kk accelerator variants

claude
and
stanmoore1
committed
8038bac

Commits on Jun 25, 2026

fix/kk: fix host/device exchange path detection in pre_exchange/pre_neighbor

claude
and
stanmoore1
committed
932651c
KOKKOS: make fix rigid/small/kk device atom exchange work under MPI

claude
and
stanmoore1
committed
6453055