qp.cluster.charge_count.check_charge

qp.cluster.charge_count.check_charge(cluster_path)

Validate that charge, spin multiplicity, and electron count are consistent.

Prints an error message if the parity of (electrons - charge) does not match the parity of the spin multiplicity.

Parameters:

cluster_path (str) – Path to a cluster directory containing charge/spin CSVs and an XYZ file.