v0.3.0

What's Changed

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

Full Changelog: v0.2.2...v0.3.0