=============== Target audience =============== Who is the target audience of the qcPy package? Is it interesting for me? Quantum chemists aiming at reproducibility ========================================== The qcPy package addresses every scientist working in the field of quantum-chemical calculations (mainly DFT) on a daily base. Motivation and general ideas ============================ The motivation an general idea behind the qcPy package is to ensure reproducibility and replicability when handling quantum-chemical calculations and the post-processing of the acquired data, using the `ASpecD framework `_.