Closed jtkrogel closed 5 years ago
The PR implements the evaluate_v routine for splined orbitals following the pattern established by the existing evaluate_vgh implementation.
Single and multi-threaded checks (via check_spo and check_spo_batched) pass on both oxygen (without offload) and on Summit (with offload).
Can one of the maintainers verify this patch?
test this please
I can't make the CI pass due to #187
The PR implements the evaluate_v routine for splined orbitals following the pattern established by the existing evaluate_vgh implementation.
Single and multi-threaded checks (via check_spo and check_spo_batched) pass on both oxygen (without offload) and on Summit (with offload).