Atomspins

The attribute atomspins contains the atomic spin densities as calculated in a population analysis and taken from the output file. Since these densities are arbitrary and depend on the particular population analysis, this attribute is dictionary. In analogy to atomcharges, the keys in this dictionary are strings naming the population analysis, and the values are arrays of rank 1 and contain the actual spin densities.

Currently, cclib parses Mulliken and Lowdin spin densities, whose respective dictionary keys are mulliken and lowdin.