Changelog
* Fixing the spGFN gradient by haneug in https://github.com/tblite/tblite/pull/90
* Hamiltonian gradient: Avoid some repeated computations by marvinfriede in https://github.com/tblite/tblite/pull/92
* Added new spin constants by benbaed in https://github.com/tblite/tblite/pull/96, https://github.com/tblite/tblite/pull/99
* Add support for spin polarization to Python and C API by awvwgk in https://github.com/tblite/tblite/pull/117
* Simplify electronic entropy calculation by awvwgk in https://github.com/tblite/tblite/pull/79
* Implementation of Charge-Extended Hückel method by marcelmbn and thfroitzheim in https://github.com/tblite/tblite/pull/124, https://github.com/tblite/tblite/pull/133, https://github.com/tblite/tblite/pull/185, https://github.com/tblite/tblite/pull/190, https://github.com/tblite/tblite/pull/192
* Add bind(C) to callback function of context by pitsteinbach in https://github.com/tblite/tblite/pull/127
* Add double dictionary by pitsteinbach in https://github.com/tblite/tblite/pull/125, https://github.com/tblite/tblite/pull/157, https://github.com/tblite/tblite/pull/158
* Add C and python API calls for solvation by pitsteinbach in https://github.com/tblite/tblite/pull/130
* Seperate exception module, add custom callback, add getter and setter to results by awvwgk in https://github.com/tblite/tblite/pull/149
* Add error handling to callback API for logger by awvwgk in https://github.com/tblite/tblite/pull/135
* Handle mismatching number of total and unpaired electron by awvwgk in https://github.com/tblite/tblite/pull/151
* Add possibility to set all calculator parameters from ASE by awvwgk in https://github.com/tblite/tblite/pull/150, https://github.com/tblite/tblite/pull/160
* Add QCSchema support by awvwgk in https://github.com/tblite/tblite/pull/152
* Adding post processing container by pitsteinbach in https://github.com/tblite/tblite/pull/128
* Remove redundant empty results tests by pitsteinbach in https://github.com/tblite/tblite/pull/174
* Python-interface: Loading spin-polarized quantities by pro7onmatrix in https://github.com/tblite/tblite/pull/170
* Refactor `driver_guess` by marcelmbn in https://github.com/tblite/tblite/pull/189
* Raise error for too heavy elements by marcelmbn in https://github.com/tblite/tblite/pull/188
* adding symbols to atomic numbers conversion by V-Alizade in https://github.com/tblite/tblite/pull/218
* Fix OMP memory leak in Coulomb matrix derivatives by pprcht in https://github.com/tblite/tblite/pull/154
* Fix for integral transformation and diatomic frame overlap by thfroitzheim in https://github.com/tblite/tblite/pull/186
* Fix memory leak behavior of tblite when using MKL as LAPACK and BLAS backend by pitsteinbach in https://github.com/tblite/tblite/pull/173
* Fix real precisions by foxtran in https://github.com/tblite/tblite/pull/204
Documentation
* Add missing documentation for available matrices by awvwgk in https://github.com/tblite/tblite/pull/102
* README: No longer highly experimental? :) by Andrew-S-Rosen in https://github.com/tblite/tblite/pull/153
* Add parallel section to documentation by pitsteinbach in https://github.com/tblite/tblite/pull/168, https://github.com/tblite/tblite/pull/172
* Update tblite-guess.1.adoc by Albkat in https://github.com/tblite/tblite/pull/177
* Fix code block rendering by marvinfriede in https://github.com/tblite/tblite/pull/171
Infrastructure
* Update CI by awvwgk in https://github.com/tblite/tblite/pull/119
* Fix wheel workflow by marvinfriede in https://github.com/tblite/tblite/pull/187
* Upgrade to TOML Fortran 0.4.0 by awvwgk in https://github.com/tblite/tblite/pull/108
* Add config for RTD by awvwgk in https://github.com/tblite/tblite/pull/141
* Format Python directory, apply isort, fixes by ruff by awvwgk in https://github.com/tblite/tblite/pull/148
* Update CI to latest state by marcelmbn in https://github.com/tblite/tblite/pull/196
* Add py.typed file to indicate support for type checkers by Andrew-S-Rosen in https://github.com/tblite/tblite/pull/199
* Fix wheel workflow by marcelmbn in https://github.com/tblite/tblite/pull/197
* Fix doc build by thfroitzheim in https://github.com/tblite/tblite/pull/207
* Gradient of the electrostatics potential by thfroitzheim in https://github.com/tblite/tblite/pull/193
* Update subproject versions in meson, cmake and fpm (simple-dftd3, dftd4, ...) by foxtran and thfroitzheim in https://github.com/tblite/tblite/pull/209, https://github.com/tblite/tblite/pull/210, https://github.com/tblite/tblite/pull/212, https://github.com/tblite/tblite/pull/215
New Contributors
* Vahideh Alizadeh (V-Alizade) made their first contribution in https://github.com/tblite/tblite/pull/218
* Benedikt Bädorf (benbaed) made their first contribution in https://github.com/tblite/tblite/pull/96
* Thomas Froitzheim (thfroitzheim) made their first contribution in https://github.com/tblite/tblite/pull/133
* Igor Gerasimov (foxtran) made their first contribution in https://github.com/tblite/tblite/pull/204
* Albert Katbashev (Albkat) made their first contribution in https://github.com/tblite/tblite/pull/177
* Yannick Lemke (pro7onmatrix) made their first contribution in https://github.com/tblite/tblite/pull/170
* Marcel Müller (marcelmbn) made their first contribution in https://github.com/tblite/tblite/pull/124
* Hagen Neugebauer (haneug) made their first contribution in https://github.com/tblite/tblite/pull/90
* Philipp Pracht (pprcht) made their first contribution in https://github.com/tblite/tblite/pull/154
* Andrew Rosen (Andrew-S-Rosen) made their first contribution in https://github.com/tblite/tblite/pull/153
* Pit Steinbach (pitsteinbach) made their first contribution in https://github.com/tblite/tblite/pull/127
**Full Changelog**: https://github.com/tblite/tblite/compare/v0.3.0...v0.4.0