Ppafm

What's Changed
* Paper figure by NikoOinonen in https://github.com/Probe-Particle/ppafm/pull/248
* Correct sign of densities and potentials in KPFM by mondracek in https://github.com/Probe-Particle/ppafm/pull/251
* Add labels to color bars by mondracek in https://github.com/Probe-Particle/ppafm/pull/254
* Add the FFPB_KPFM example by mondracek in https://github.com/Probe-Particle/ppafm/pull/255
* Adding the FePc_Au-IETS example by ondrejkrejci in https://github.com/Probe-Particle/ppafm/pull/262


**Full Changelog**: https://github.com/Probe-Particle/ppafm/compare/v0.3.0...v0.3.1

What's Changed
* Add black by yakutovicha in https://github.com/Probe-Particle/ppafm/pull/96
* Dockerfile: switch to extended-support image by yakutovicha in https://github.com/Probe-Particle/ppafm/pull/204
* Apply black to the `ml` package by yakutovicha in https://github.com/Probe-Particle/ppafm/pull/196
* Sign of atomic forces in the C++ version by mondracek in https://github.com/Probe-Particle/ppafm/pull/207
* Fixed incorrect loading of aims .in and poscar files by NikoOinonen in https://github.com/Probe-Particle/ppafm/pull/209
* Improve Fz2df conversion by mondracek in https://github.com/Probe-Particle/ppafm/pull/202
* Add Python 3.12 to CI tests by NikoOinonen in https://github.com/Probe-Particle/ppafm/pull/212
* Generate automatic lattice vectors in loadGeometry by mondracek in https://github.com/Probe-Particle/ppafm/pull/216
* Formatting by NikoOinonen in https://github.com/Probe-Particle/ppafm/pull/219
* Work on cli tools by yakutovicha in https://github.com/Probe-Particle/ppafm/pull/215
* formating by ProkopHapala in https://github.com/Probe-Particle/ppafm/pull/220
* Apply `pre-commit` for the whole repository by yakutovicha in https://github.com/Probe-Particle/ppafm/pull/222
* Fix OpenCL compilation not working during CI tests by NikoOinonen in https://github.com/Probe-Particle/ppafm/pull/227
* Removes the directory examples/_bak by mondracek in https://github.com/Probe-Particle/ppafm/pull/231
* Run PTCDA_single example with pytest by yakutovicha in https://github.com/Probe-Particle/ppafm/pull/228
* Remove the `examples/_bak` folder that has been accidentally brought bak by yakutovicha in https://github.com/Probe-Particle/ppafm/pull/234
* `ci.yml`: add codecov and update checkout action by yakutovicha in https://github.com/Probe-Particle/ppafm/pull/235
* Repair in `plot_results.py` for IETS (still not fully working) by ondrejkrejci in https://github.com/Probe-Particle/ppafm/pull/237
* Consider the non-zero origin of the grid cell by mondracek in https://github.com/Probe-Particle/ppafm/pull/229
* Add OpenMP acceleration by ProkopHapala in https://github.com/Probe-Particle/ppafm/pull/225
* Making KPFM work by mondracek in https://github.com/Probe-Particle/ppafm/pull/193
* Electric field scaling corrected for non-zero grid origin by mondracek in https://github.com/Probe-Particle/ppafm/pull/239
* Add badges to the readme by yakutovicha in https://github.com/Probe-Particle/ppafm/pull/242
* Corrected IETS by ProkopHapala in https://github.com/Probe-Particle/ppafm/pull/240


**Full Changelog**: https://github.com/Probe-Particle/ppafm/compare/v0.2.2...v0.3.0

What's Changed
* Fixed API docs for AFMulator. by NikoOinonen in https://github.com/Probe-Particle/ppafm/pull/180
* Update the docker container. by yakutovicha in https://github.com/Probe-Particle/ppafm/pull/181
* Adding fit size script to Utilities by ondrejkrejci in https://github.com/Probe-Particle/ppafm/pull/182
* Update README by yakutovicha in https://github.com/Probe-Particle/ppafm/pull/183
* Overhaul of CLI arguments by NikoOinonen in https://github.com/Probe-Particle/ppafm/pull/185
* Temporarily disable flake8 pre-commit hook. by NikoOinonen in https://github.com/Probe-Particle/ppafm/pull/187
* Fixes 39 by mondracek in https://github.com/Probe-Particle/ppafm/pull/179
* Merge relaxed_scan_PVE.py to relaxed_scan.py. by NikoOinonen in https://github.com/Probe-Particle/ppafm/pull/188
* Implement FDBM in the GUI. by NikoOinonen in https://github.com/Probe-Particle/ppafm/pull/189
* Add ppafm-conv-rho and ppafm-generate-dftd3. Closes 186 by mondracek in https://github.com/Probe-Particle/ppafm/pull/192


**Full Changelog**: https://github.com/Probe-Particle/ppafm/compare/v0.2.1...v0.2.2

What's Changed
* Update README.md by NikoOinonen in https://github.com/Probe-Particle/ppafm/pull/175
* CI wheels build by NikoOinonen in https://github.com/Probe-Particle/ppafm/pull/178


**Full Changelog**: https://github.com/Probe-Particle/ppafm/compare/v0.2.0...v0.2.1

What's Changed
* Update README.md by NikoOinonen in https://github.com/Probe-Particle/ppafm/pull/175
* CI wheels build by NikoOinonen in https://github.com/Probe-Particle/ppafm/pull/178


**Full Changelog**: https://github.com/Probe-Particle/ppafm/compare/v0.2.0...v0.2.1a2

What's Changed
* simplifying makefile & making it work on my macos by ltalirz in https://github.com/Probe-Particle/ppafm/pull/3
* fixed cppflags by ltalirz in https://github.com/Probe-Particle/ppafm/pull/4
* Mention license in the README. by yakutovicha in https://github.com/Probe-Particle/ppafm/pull/17
* Delete old_gui. Fixes 18 by NikoOinonen in https://github.com/Probe-Particle/ppafm/pull/28
* Deleted commented-out lines of code. Fixes 20. by NikoOinonen in https://github.com/Probe-Particle/ppafm/pull/29
* Code reorganization. Fixes 19, fixes 21, fixes 23. by NikoOinonen in https://github.com/Probe-Particle/ppafm/pull/30
* Deleted old OCL related functions no longer in use. by NikoOinonen in https://github.com/Probe-Particle/ppafm/pull/37
* Initial version of sphinx docs by NikoOinonen in https://github.com/Probe-Particle/ppafm/pull/36
* Fix for grid step size. by NikoOinonen in https://github.com/Probe-Particle/ppafm/pull/41
* Readthedocs by NikoOinonen in https://github.com/Probe-Particle/ppafm/pull/44
* Master kpfm by aureliojgc in https://github.com/Probe-Particle/ppafm/pull/45
* Simplified xyz IO functions by NikoOinonen in https://github.com/Probe-Particle/ppafm/pull/49
* apos -> poss by alexriss in https://github.com/Probe-Particle/ppafm/pull/54
* Provide `pypackage.toml`, rename root module to `ppafm` by yakutovicha in https://github.com/Probe-Particle/ppafm/pull/57
* Fix for missing submodules in package build. by NikoOinonen in https://github.com/Probe-Particle/ppafm/pull/59
* Updated doc page URL in README. by NikoOinonen in https://github.com/Probe-Particle/ppafm/pull/66
* Enable pre-commit checks by yakutovicha in https://github.com/Probe-Particle/ppafm/pull/62
* GUI fixes by NikoOinonen in https://github.com/Probe-Particle/ppafm/pull/67
* After62 by ondrejkrejci in https://github.com/Probe-Particle/ppafm/pull/73
* Add initial Docker setup. by yakutovicha in https://github.com/Probe-Particle/ppafm/pull/56
* Prokop damp func by ProkopHapala in https://github.com/Probe-Particle/ppafm/pull/87
* Update .gitignore. by yakutovicha in https://github.com/Probe-Particle/ppafm/pull/98
* C++ code compilation for pip wheel by NikoOinonen in https://github.com/Probe-Particle/ppafm/pull/92
* Fixed deprecated use of .clear() on Axes.ArtistList in GUIWidgets.py by NikoOinonen in https://github.com/Probe-Particle/ppafm/pull/100
* Fix for deprecated use of numpy data types. by NikoOinonen in https://github.com/Probe-Particle/ppafm/pull/101
* Install top-level scripts with pip. by yakutovicha in https://github.com/Probe-Particle/ppafm/pull/102
* Prepare release 0.2.0a1 by yakutovicha in https://github.com/Probe-Particle/ppafm/pull/104
* Fixed run.bat for the graphene example. by NikoOinonen in https://github.com/Probe-Particle/ppafm/pull/111
* Add pytest and github action to execute it by yakutovicha in https://github.com/Probe-Particle/ppafm/pull/117
* Removed "For developers" sections from README by NikoOinonen in https://github.com/Probe-Particle/ppafm/pull/122
* Clean dev by ProkopHapala in https://github.com/Probe-Particle/ppafm/pull/121
* Fix CI tests by NikoOinonen in https://github.com/Probe-Particle/ppafm/pull/125
* IO related code reorganization by NikoOinonen in https://github.com/Probe-Particle/ppafm/pull/103
* Fix for sign issues in electrostatics and Pauli calculations. by NikoOinonen in https://github.com/Probe-Particle/ppafm/pull/124
* Completes renaming "basUtils" to "io" by mondracek in https://github.com/Probe-Particle/ppafm/pull/127
* Rename basUtils to io also in sphinx docs. by NikoOinonen in https://github.com/Probe-Particle/ppafm/pull/132
* Remove remaining sys.path manipulation. by NikoOinonen in https://github.com/Probe-Particle/ppafm/pull/131
* Full-density based model in OpenCL by NikoOinonen in https://github.com/Probe-Particle/ppafm/pull/130
* Parameter saving/loading from params.ini for AFMulator and the GUI by NikoOinonen in https://github.com/Probe-Particle/ppafm/pull/139
* Removed locale change in ReadNumsUpTo that was causing trouble. by NikoOinonen in https://github.com/Probe-Particle/ppafm/pull/141
* Added clarity for changing values of GUI widgets. by NikoOinonen in https://github.com/Probe-Particle/ppafm/pull/140
* Implemented normalization to power raising method for DataGrid. by NikoOinonen in https://github.com/Probe-Particle/ppafm/pull/143
* Fix coordinate offset in OpenCL force field interpolation. by NikoOinonen in https://github.com/Probe-Particle/ppafm/pull/145
* Implement tip density resampling. by NikoOinonen in https://github.com/Probe-Particle/ppafm/pull/147
* Fix to OpenCL compilation paths. by NikoOinonen in https://github.com/Probe-Particle/ppafm/pull/151
* Chore: move `dev/fitPPM` to `ppafm/cli/fitting` by yakutovicha in https://github.com/Probe-Particle/ppafm/pull/152
* Fix sign of electrostatic force in density overlap. by NikoOinonen in https://github.com/Probe-Particle/ppafm/pull/159
* set atomic number of Cl to 17 by alexriss in https://github.com/Probe-Particle/ppafm/pull/160
* Fixing issue with saving numpy format by ondrejkrejci in https://github.com/Probe-Particle/ppafm/pull/154
* Added g++ and make to readthedocs build requirements. by NikoOinonen in https://github.com/Probe-Particle/ppafm/pull/162
* Add Grimme-D3 calculation by NikoOinonen in https://github.com/Probe-Particle/ppafm/pull/163
* Set maximum for initial scan size in GUI. by NikoOinonen in https://github.com/Probe-Particle/ppafm/pull/164
* Implemented DFT-D3 in the CPU code. by NikoOinonen in https://github.com/Probe-Particle/ppafm/pull/166
* Set fixed locale during array read. by NikoOinonen in https://github.com/Probe-Particle/ppafm/pull/168
* Automate release with bumpver by yakutovicha in https://github.com/Probe-Particle/ppafm/pull/171
* Release automatically on PyPi by yakutovicha in https://github.com/Probe-Particle/ppafm/pull/170
* Temporary disable wheel build. by yakutovicha in https://github.com/Probe-Particle/ppafm/pull/173
* Improve the `README.md` file by yakutovicha in https://github.com/Probe-Particle/ppafm/pull/172
* Replaced origin='image' with origin='lower' in PPPlot.py by LauriKurki in https://github.com/Probe-Particle/ppafm/pull/174

New Contributors
* ltalirz made their first contribution in https://github.com/Probe-Particle/ppafm/pull/3
* yakutovicha made their first contribution in https://github.com/Probe-Particle/ppafm/pull/17
* NikoOinonen made their first contribution in https://github.com/Probe-Particle/ppafm/pull/28
* aureliojgc made their first contribution in https://github.com/Probe-Particle/ppafm/pull/45
* alexriss made their first contribution in https://github.com/Probe-Particle/ppafm/pull/54
* ondrejkrejci made their first contribution in https://github.com/Probe-Particle/ppafm/pull/73
* ProkopHapala made their first contribution in https://github.com/Probe-Particle/ppafm/pull/87
* mondracek made their first contribution in https://github.com/Probe-Particle/ppafm/pull/127
* LauriKurki made their first contribution in https://github.com/Probe-Particle/ppafm/pull/174

**Full Changelog**: https://github.com/Probe-Particle/ppafm/compare/v0.1...v0.2.0