this structure gets put inside a DualView,
so these members need to be able to execute
on the GPU

the compiler pointed out that
boundary[2][2] doesn't exist.
If I understand this correctly,
those checks should be against
boundary[*][0].

this #ifdef adds a return statement
for little endian machines, but leaves
the old one, which the compiler comlains
is unreachable. this commit combines
the conditionals so we can use #else

collected fixes and improvements

Kokkos fixes

USER-DPD another zero compute optimization

This relates to commit 4eb08a58 that was applied to pair_dpd_fdt_energy

Added source code and documentation for USER-CGDNA

USER-DPD: Skip a0*stuff computations, if a0 was set to zero in pair_coeff

USER-DPD: bugfix for a segfault when using MOLECULE and DPD together.

This saves around 10% of the runtime for many of our tests using SSA.

Fixes for srp example

Neighbor fixes

Bugfix in the fix_ipi initialization - prevents multiple open_socket calls

Make fix_qeq_reax_kokkos request its own neighbor list

Make fix_rx request its own neighbor list

Updated the reference for the flow/gauss method

Coord atom orientorder atom enhancements

USER-DPD: fix a typo in the DPD-H example input; update reference output.

Collected small bugfixes

print the last input line, when error->all() is called

Updating Kokkos lib

Updated images of succesful merge.

rather than adjusting the communication cutoff, we just print out the minimum value needed and error out

i suspect, this communication cutoff adjustment was included into the code before it was possible to separately set it via comm_modify. stopping with an error message printing the needed/current value is cleaner, in keeping with other modules in LAMMPS and much less problematic.

Included a flag to prevent multiple open_socket calls if run is included multiple times in the LAMMPS input