Ppafm

Latest version: v0.3.2

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0.3.2

What's Changed
* API docs update by NikoOinonen in https://github.com/Probe-Particle/ppafm/pull/265
* [pre-commit.ci] pre-commit autoupdate by pre-commit-ci in https://github.com/Probe-Particle/ppafm/pull/249
* Python API GPU tutorial by NikoOinonen in https://github.com/Probe-Particle/ppafm/pull/269
* KPFM examples by mondracek in https://github.com/Probe-Particle/ppafm/pull/270
* Generator update by NikoOinonen in https://github.com/Probe-Particle/ppafm/pull/273
* [pre-commit.ci] pre-commit autoupdate by pre-commit-ci in https://github.com/Probe-Particle/ppafm/pull/274
* updated naming in README and addding the arxiv manuscript by ondrejkrejci in https://github.com/Probe-Particle/ppafm/pull/271
* Temporarily disable one of the CI tests. by NikoOinonen in https://github.com/Probe-Particle/ppafm/pull/280
* Make scanner work when scan_dim is passed as a non-tuple array by NikoOinonen in https://github.com/Probe-Particle/ppafm/pull/281
* LCPD for general ranges of bias, amplitudes, tip charge and cantilever stiffness by mondracek in https://github.com/Probe-Particle/ppafm/pull/278
* Compatibility with NumPy 2.0 by NikoOinonen in https://github.com/Probe-Particle/ppafm/pull/287
* [pre-commit.ci] pre-commit autoupdate by pre-commit-ci in https://github.com/Probe-Particle/ppafm/pull/285
* Fix reading atom_frac from geometry.in by mondracek in https://github.com/Probe-Particle/ppafm/pull/290
* Fix automated builds for MacOS. by NikoOinonen in https://github.com/Probe-Particle/ppafm/pull/292

New Contributors
* pre-commit-ci made their first contribution in https://github.com/Probe-Particle/ppafm/pull/249

**Full Changelog**: https://github.com/Probe-Particle/ppafm/compare/v0.3.1...v0.3.2

0.3.1

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

0.3.0

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

0.2.2

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

0.2.1

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...v0.2.1

0.2.1a2

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

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