qc2Data class

As mentioned in qc2 workflow, the central component of qc2 is the qc2Data class. In this section, we will provide general guidelines on how to instantiate it and offer an overview of its methods.

• Instantiating qc2Data class
• Running qc2-ASE calculators via qc2Data class
• Building up the molecular Hamiltonian
• Running quantum-classical algorithms via qc2Data class