Pymatgen

* 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.

Welcome to new contributor e-kwsm!

* More robust smart fermi method by utf in <https://github.com/materialsproject/pymatgen/pull/2303>
* Replace-species by janosh in <https://github.com/materialsproject/pymatgen/pull/2291>
* Add warning if improper ALGO is used for hybrid calculations by Andrew-S-Rosen in <https://github.com/materialsproject/pymatgen/pull/2298>
* Wrap supercell to unit cell when performing change of setting by jmmshn in <https://github.com/materialsproject/pymatgen/pull/2300>
* Clearer handling of the MAGMOM flag in pymatgen.io.vasp.sets by Andrew-S-Rosen in <https://github.com/materialsproject/pymatgen/pull/2301>
* Add warning if LASPH != True for meta-GGA/hybrid/vdW/+U by Andrew-S-Rosen in <https://github.com/materialsproject/pymatgen/pull/2297>
* Add ability to request additional OPTIMADE fields by ml-evs in <https://github.com/materialsproject/pymatgen/pull/2315>
* Add missing elements to MPScanRelaxSet PBE .54 potentials by Andrew-S-Rosen in <https://github.com/materialsproject/pymatgen/pull/2316>

* Fix write Trajectory XDATACAR with variable lattice by gpetretto in <https://github.com/materialsproject/pymatgen/pull/2310>
* Fix small cutoff neighbor by chc273 in <https://github.com/materialsproject/pymatgen/pull/2277>
* Add Composition.replace() by janosh in <https://github.com/materialsproject/pymatgen/pull/2284>
* Ion bugfixes and enhancements by rkingsbury in <https://github.com/materialsproject/pymatgen/pull/2287>
* Fix oddly split strings and a few typos by janosh in <https://github.com/materialsproject/pymatgen/pull/2285>
* InsertionElectrode bug fix and documentation update by acrutt in <https://github.com/materialsproject/pymatgen/pull/2257>
* Remove accidentally tracked files and unset executable flag by e-kwsm in <https://github.com/materialsproject/pymatgen/pull/2296>

* Update DOI URLs by e-kwsm in <https://github.com/materialsproject/pymatgen/pull/2295>
* Documentation update: Fix missing Outcar attributes and update elemental_dos_dos string by Andrew-S-Rosen in <https://github.com/materialsproject/pymatgen/pull/2293>
* Documentation update for CutOffDictNN by ltalirz in <https://github.com/materialsproject/pymatgen/pull/2278>

* Fix to allow PhaseDiagram to be JSON-serializable with computed data cached (mkhorton, 2276)
* Temporarily revert 2239 pending investigation into slow-down in some nearest neighbor finding routines. This does not affect the behavior of any of these classes.

Welcome to new contributors blokhin, pzarabadip, ml-evs, wuxiaohua1011, janssenhenning and penicillin0. A reminder to all new contributors to
ensure your information is accurate at <https://pymatgen.org/team.html> so that
you are acknowledged appropriately by filling out the linked form.

* Breaking change in PhaseDiagram serialization which will affect any users of BasePhaseDiagram which has now been removed (shyuep, 2b9911d)

* Speed up nearest-neighbor routines & structure graph generation (ltalirz, 2239)
* Add two more pre-defined OPTIMADE aliases (blokhin, 2242)
* Refactor `interface_reactions` module, adding support for Plotly (mattmcdermott, 2233)

* Update NOMAD access in MPRester (wuxiaohua1011, 1958)
* General improvements to Phase Diagram code (CompyRhys, 2263, 2264, 2268)
* Improve appearance of periodic table heatmap (penicillin0, 2272)
* Small improvements to battery classes (jmmshn, 2262)
* Fix for Composition.chemical_system to match expected behavior for compositions with oxidation states (CompRhys, 2249)
* Fix for bad param in OPTIMADE response fields (ml-evs, 2244)
* Fix for issue in parsing `bandOverlaps.lobster` file (pzarabadip, 2237)
* Fix for Moladaptor (orioncohen, 2269)
* Fix for incorrect Potcar hash warnings (mkhorton, 2273)

* Type hint and correct documentation of Structure.remove_site_properties (kmu, 2256)
* Type hint improvements across pymatgen (janosh, 2241, 2247, 2261)
* Add `pymatgen-io-fleur` addon to addons page (janssenhenning, 2232)