v0.2.0a2
What's Changed
- Fixed run.bat for the graphene example. by @NikoOinonen in #111
- Add pytest and github action to execute it by @yakutovicha in #117
- Removed "For developers" sections from README by @NikoOinonen in #122
- Clean dev by @ProkopHapala in #121
- Fix CI tests by @NikoOinonen in #125
- IO related code reorganization by @NikoOinonen in #103
- Fix for sign issues in electrostatics and Pauli calculations. by @NikoOinonen in #124
- Completes renaming "basUtils" to "io" by @mondracek in #127
- Rename basUtils to io also in sphinx docs. by @NikoOinonen in #132
- Remove remaining sys.path manipulation. by @NikoOinonen in #131
- Full-density based model in OpenCL by @NikoOinonen in #130
- Parameter saving/loading from params.ini for AFMulator and the GUI by @NikoOinonen in #139
- Removed locale change in ReadNumsUpTo that was causing trouble. by @NikoOinonen in #141
- Added clarity for changing values of GUI widgets. by @NikoOinonen in #140
- Implemented normalization to power raising method for DataGrid. by @NikoOinonen in #143
- Fix coordinate offset in OpenCL force field interpolation. by @NikoOinonen in #145
- Implement tip density resampling. by @NikoOinonen in #147
- Fix to OpenCL compilation paths. by @NikoOinonen in #151
- Chore: move
dev/fitPPM
toppafm/cli/fitting
by @yakutovicha in #152 - Fix sign of electrostatic force in density overlap. by @NikoOinonen in #159
- set atomic number of Cl to 17 by @alexriss in #160
- Fixing issue with saving numpy format by @ondrejkrejci in #154
- Added g++ and make to readthedocs build requirements. by @NikoOinonen in #162
- Add Grimme-D3 calculation by @NikoOinonen in #163
- Set maximum for initial scan size in GUI. by @NikoOinonen in #164
- Implemented DFT-D3 in the CPU code. by @NikoOinonen in #166
- Set fixed locale during array read. by @NikoOinonen in #168
- Automate release with bumpver by @yakutovicha in #171
- Release automatically on PyPi by @yakutovicha in #170
New Contributors
- @mondracek made their first contribution in #127
Full Changelog: v0.2.0a1...v0.2.0a2