qimpy.dft.ions

Ionic sub-system

Classes

PseudoQuantumNumbers	Quantum numbers of pseudo-atom in projector or orbital order.
Pseudopotential	Specification of electron-ion interactions.
Ions	Ionic system: ionic geometry and pseudopotentials.
Lowdin	Lowdin analysis and atomic manipulation of wavefunctions.

Modules

qimpy.dft.ions.symbols

Chemical symbols, atomic numbers and atomic weights.