Release 1.6.2

Release 1.6.2 (21.02.2025)

Designable density functionals in the input by mixing basic functionals (Anton Rikus)
Stabilized Quasi-Newton Method (SQNM) optimizer for minima (Thorben Wiegmann)
Added WF in DFT geometry optimizations for HF (Thorben Wiegmann)
CHELPG and CM5 partial charges (Thorben Wiegmann)
Approximate embedding electrostatics via partial charges (Lars Hellmann)
Approximate embedding via the Loewdin expansion of kinetic energy expectation values
computed from non-orthogonal Slater determinants (Denis G. Artiukhin)
TDDFT Gradients: restricted/unrestricted, LDA/GGA/hybrid and range-separated functionals, CIS/TDA/TDHF as well,
RI-J possible, but so far only for an isolated system (Anton Rikus)
Added tasks for exporting and importing solvation models with corresponding solvent cavities and charges
to/from files that can be used by Serenity (Lukas Paetow)
Transition, particle and hole densities can also be plotted for subsystem TDDFT (Anton Rikus)
Transition and excited state densities from CC2/ADC(2) can be plotted (Anton Rikus)
Read in external grid potential (Leon Fischer)
Added a task that writes FCI dump files (Moritz Bensberg).
Added a task that runs top-down embedding calculations without SCF-based orbital relaxation after subsystem
partitioning (Moritz Bensberg).
Added a new embedding flavor, ALMO-MSDFT (Lukas Lampe).

Added classes for easier calculation of gradient contributions from two-electron
integrals using the RI approximation and from one-electron integrals (Anton Rikus)
Basis files can be directly read in Turbomole format (Anton Rikus)
LRSCFTaskSettings are written on disk (Anton Rikus)
Added test systems with converged LRSCF excitation vectors (Anton Rikus)
Python wrapper published on PyPI, allowing pip install qcserenity (Anton Rikus)