Probe-Particle ppafm issues

Probe-Particle / ppafm

Classical force field model for simulating atomic force microscopy images.

MIT License

49 stars 18 forks source link

issues

Newest

Newest Most commented Recently updated Oldest Least commented Least recently updated

Remove the `tex` files from the documentation folder

#300 yakutovicha opened 11 hours ago
0
End support for Python 3.7

#299 yakutovicha opened 3 days ago
1
Fix some typos in examples.

#298 huangchieh closed 1 week ago
0
Update README.md

#297 yakutovicha closed 1 week ago
0
Update README.md

#296 ondrejkrejci closed 2 weeks ago
1
Automatic tests failed:

#295 ondrejkrejci closed 1 week ago
2
updating references - readme and paper_figure

#294 ondrejkrejci closed 2 weeks ago
1
Update links to the new paper

#293 NikoOinonen closed 2 weeks ago
7
Fix automated builds for MacOS.

#292 NikoOinonen closed 3 weeks ago
0
Default values in the "atomtypes.ini" file

#291 prometeus3 closed 3 weeks ago
5
Fix reading atom_frac from geometry.in

#290 mondracek closed 1 month ago
2
Reading geometry.in with fractional coordinates incorrect

#289 mondracek closed 1 month ago
0
MacOS github runner deprecated

#288 NikoOinonen opened 1 month ago
2
Compatibility with NumPy 2.0

#287 NikoOinonen closed 1 month ago
1
Compatibility with Numpy 2.0

#286 NikoOinonen closed 1 month ago
3
[pre-commit.ci] pre-commit autoupdate

#285 pre-commit-ci[bot] closed 1 month ago
0
Mismatch between GPU and CPU simulations "pyridineDensOverlap" example

#284 prometeus3 opened 2 months ago
2
Addressing point 1 of the reviewer.

#283 ondrejkrejci closed 3 weeks ago
5
Code benchmark

#282 NikoOinonen closed 2 months ago
29
Make scanner work when scan_dim is passed as a non-tuple array

#281 NikoOinonen closed 3 months ago
0
Temporarily disable one of the CI tests.

#280 NikoOinonen closed 3 months ago
0
Continuous-integration tests keep failing, blocking any new pull request

#279 mondracek opened 3 months ago
7
LCPD for general ranges of bias, amplitudes, tip charge and cantilever stiffness

#278 mondracek closed 1 month ago
9
Figure out electrostatics in FDBM

#277 mondracek opened 3 months ago
0
Fixing FHI-aims electron densities for FDBM

#276 NikoOinonen opened 4 months ago
4
Implement `PpafmParameters` class based on `pydantic.BaseModel`

#275 yakutovicha closed 11 hours ago
7
[pre-commit.ci] pre-commit autoupdate

#274 pre-commit-ci[bot] closed 5 months ago
1
Generator update

#273 NikoOinonen closed 5 months ago
2
Make KPFM work for a range of amplitudes, probe-particle stiffness parameters etc.

#272 mondracek closed 1 month ago
0
updated naming in README and addding the arxiv manuscript

#271 ondrejkrejci closed 4 months ago
4
KPFM examples

#270 mondracek closed 5 months ago
8
Python API GPU tutorial

#269 NikoOinonen closed 5 months ago
5
Add tutorial for the AFMulator

#268 NikoOinonen closed 5 months ago
0
Tutorials for using the GPU-accelerated Python API

#267 NikoOinonen opened 6 months ago
0
Too many names

#266 yakutovicha closed 4 months ago
4
API docs update

#265 NikoOinonen closed 6 months ago
3
Clean-up the API doc pages

#264 NikoOinonen closed 6 months ago
0
Windows wheel build failing

#263 NikoOinonen closed 6 months ago
2
Adding the FePc_Au-IETS example

#262 ondrejkrejci closed 6 months ago
5
new version, of PPAFM released and added to Zenodo description

#261 ondrejkrejci closed 6 months ago
4
Adding a beter description for the Zenodo database of images

#260 ondrejkrejci closed 6 months ago
17
Adding the FePc example to the examples

#259 ondrejkrejci closed 6 months ago
0
Proper documentation for the FDBM (full denity based method) is missing

#258 mondracek closed 4 months ago
12
DFT-D3 van der Waals does not work correctly with hydroxyl (-OH) groups

#257 mondracek closed 3 weeks ago
22
The "tip" option in params.ini does not work

#256 mondracek opened 7 months ago
0
Add the FFPB_KPFM example

#255 mondracek closed 7 months ago
2
Add labels to color bars

#254 mondracek closed 7 months ago
1
Labels need to be added to the color bar in PNG images

#253 mondracek opened 7 months ago
3
Too large color bar makes png figures ugly

#252 mondracek closed 7 months ago
3
Correct sign of densities and potentials in KPFM

#251 mondracek closed 7 months ago
2