- Is there a way to specify a shift value in the
find_adsorbate_binding_sites
function for the OCP-demo API?
results = await find_adsorbate_binding_sites(adsorbate=ads,
bulk=bulk_id,
adslab_filter=keep_slabs_with_miller_indices([miller]))
-
Is there any way to get the initial structure information from the ocp-demo result json file? seems not, but just in case.
-
Is there any way to designate the site numbers when using ocp-demo api?