1. Support for additional properties on Specie (Spin) and Site (magmom, charge). 2. Molecule class to support molecules without periodicity. 3. Beta io class for XYZ and GaussianInput.
1. Support for additional properties on Specie (Spin) and Site (magmom, charge). 2. Molecule class to support molecules without periodicity. 3. Beta io class for XYZ and GaussianInput.