Release notes v0.1.0

First release of DQC:

• Hartree-Fock (HF) calculation on isolated molecules (restricted + unrestricted) using linear combinations of contracted gaussian orbitals

• Kohn-Sham DFT (KS) calculation on isolated molecules (restricted + unrestricted) using linear combinations of contracted gaussian orbitals

• Various perturbation properties: Raman activity, IR intensity, vibrational frequency and normal modes, and SCF convergence stability check

• (experimental) Direct minimization of orbitals to solve HF and KS-DFT equation

• Fractional Z systems

• Differentiability with respect to: atomic numbers, electron occupation numbers, atomic positions, basis contracted coefficients and exponential factors, xc functional parameters, external potential.