[orca-step]
# Path to the ORCA executable, if it is not on the PATH. ORCA must be invoked by
# its full path so it can find its sub-programs.
# orca-path =

# How many cores/processes ORCA may use (via %pal). Default is serial (1).
# Parallel ORCA requires a matching OpenMPI runtime (see library-path).
# ncores = 1

# Directory holding ORCA's required OpenMPI libraries (e.g. libmpi.40.dylib),
# prepended to (DY)LD_LIBRARY_PATH for parallel runs. On this machine the
# seamm-orca conda environment provides them.
# library-path =

# Maximum number of atoms for which to print detailed per-atom results.
# max_atoms_to_print = 25
