Pymatgen

* Critical bug fix for pmgrc.yaml being overwritten in MPRester in a non-standard way.
* Change in config file for Lobster basis. Removed the 2p orbitals for Be as they led to problems in our computations and probably should be optional during the projection. (JaGeo)
* Return None for ISPIN=1 for `Vasprun('vasprun.xml').complete_dos.spin_polarization`.

* Chargemol caller for partial atomic charge analysis (Andrew-S-Rosen)
* ASEAtomAdaptor: (1) Updates to magmom support, (2) Oxidation states support, (3) Charges are now passed (Andrew-S-Rosen)
* Cleanup of deprecated methods. (janosh)
* Bigfix for gzipped DOSCAR (JaGeo)
* Updates for QChem Support (samblau)
* QuantumEspresso k-grid fix input fix. (vorwerkc)
* `Entry.__repr__()` now outputs name where available. (janosh)
* Fixes to Vasprun.final_energy to report `e_0_energy` (the desired energy quantity) for VASP 6+. (Andrew-S-Rosen)
* `Outcar().final_energy` now prints out `e_0_energy` (also called "energy(sigma->0)" in the OUTCAR) rather than `energy_fr_energy` (also called "free energy TOTEN" in the OUTCAR). This is to be consistent with `Vasprun().final_energy` and because it is generally the desired quantity. `Outcar` now has two new attributes: `.final_energy_wo_entrp` and `final_fr_energy`, which correspond to `e_wo_entrp` and `e_fr_energy`, respectively. (Andrew-S-Rosen)
* Improved parsing of coupled cluster calculations in QChem (espottesmith).

* Misc bug fixes, e.g., handling of yaml files and type check for MAGMOM flag.

* Unicode fixes (janosh)
* YAML deprecation fixes. (janosh)
* ASE adaptor support for charge, spin multiiciplity and site properties of molecules. (Andrew-S-Rosen).
* New keyword option (`keep_site_properties`) in various `structure.symmetry.analyzer` functions to keep the site properties on the sites after a transformation. (Andrew-S-Rosen)
* Bug fixes for Lobster module (JaGeo).
* SCAN / GGA(+U) mixing scheme (rkingsbury). Mixing scheme code lives in the new file `mixing_scheme.py` and is implemented as a `Compatibility` class.
* Fix for parsing of QuantumExpresso files due to new format (vorwerkc)

* Formal support for Python 3.10.
* Misc refactoring and bug fixes. No new functionality.

* First proper new release of 2022 formalizes the switch back to date-based versioning introduced as a temporary measure last year.
* Numpy version pinned to 1.22.0. This is necessary to avoid binary incompatibility.
* With the numpy version, py37 support is dropped.
* ASE io improvements (e.g., magnetic moments and selective dynamics transfer). Andrew-S-Rosen
* New automatic k-point generation scheme, `automatic_density_by_lengths`, which allows the user to specify a density of k-points in each dimension (rather than just for the entire volume). Andrew-S-Rosen
* Build improvements to dynamically generate C code by running Cython on pyx files rather than having hard-generated .c files.