quemb.molbe.mf_interfaces.orca_interface

Functions

get_mf_orca(mol, work_dir, n_procs, ...)	Compute a mean field object via orca.
get_orca_basis(mol)	Translate the basis in mol to an ORCA basis label.

Classes

OrcaArgs(*[, n_procs, memory_MB])

Use to pass information to ORCA.