[atomic-charges-step]
# How many cores to use for the charge-analysis programs.
# Default: use all available cores up to the maximum specified here.
# ncores = available

# Print the per-atom charges to the output for systems with no more than this
# many atoms. The charges are always written to a CSV file regardless. Default 20.
# max_atoms_to_print = 20

# The path to the Chargemol executable, if not found automatically.
# code = Chargemol

# The path to the Henkelman bader executable, if not found automatically.
# bader-code = bader

# Directory containing the reference atomic densities required by Chargemol for
# DDEC6. Overrides the per-step parameter when set.
# atomic-densities-directory = ~/SEAMM/atomic_charges/atomic_densities
