Probe-Particle ppafm issues

Probe-Particle / ppafm

Classical force field model for simulating atomic force microscopy images.

MIT License

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issues

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Fix issues that occured when running ppafm-generate-elff with tip's density

#316 yakutovicha opened 1 day ago
0
Put back the "fit-density" option

#315 mondracek opened 1 day ago
0
Unify the storage for examples

#314 ondrejkrejci opened 1 day ago
4
Add density cutoff option to fix FDBM for all-electron densities.

#313 NikoOinonen opened 2 weeks ago
0
FDBM (Full-density based method) broken by recent changes

#312 mondracek opened 4 weeks ago
3
[pre-commit.ci] pre-commit autoupdate

#311 pre-commit-ci[bot] closed 4 weeks ago
0
Pydantic deprecation warning

#310 NikoOinonen opened 1 month ago
0
Fix spline interpolation segfaults.

#309 NikoOinonen closed 4 weeks ago
7
Problems with spline interpolation code.

#308 NikoOinonen closed 4 weeks ago
4
Invalid command option in Wiki

#307 huangchieh closed 1 month ago
1
Fix typos and formatting in example of PTCDA_Hartree

#306 huangchieh closed 1 month ago
0
Fix API docs

#305 NikoOinonen closed 1 month ago
0
Sphinx docs failing

#304 NikoOinonen closed 1 month ago
0
fix comment handling

#303 LauriKurki closed 1 month ago
0
comments in params.ini not recognised

#302 LauriKurki closed 1 month ago
0
Bump actions/download-artifact from 2 to 4.1.7 in /.github/workflows

#301 dependabot[bot] closed 2 months ago
0
Remove the `tex` files from the documentation folder

#300 yakutovicha opened 2 months ago
0
End support for Python 3.7

#299 yakutovicha closed 4 weeks ago
3
Fix some typos in examples.

#298 huangchieh closed 2 months ago
0
Update README.md

#297 yakutovicha closed 2 months ago
0
Update README.md

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

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

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

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

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

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

#290 mondracek closed 3 months ago
2
Reading geometry.in with fractional coordinates incorrect

#289 mondracek closed 3 months ago
0
MacOS github runner deprecated

#288 NikoOinonen opened 3 months ago
2
Compatibility with NumPy 2.0

#287 NikoOinonen closed 3 months ago
1
Compatibility with Numpy 2.0

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

#285 pre-commit-ci[bot] closed 3 months ago
0
Mismatch between GPU and CPU simulations "pyridineDensOverlap" example

#284 prometeus3 opened 5 months ago
2
Addressing point 1 of the reviewer.

#283 ondrejkrejci closed 3 months ago
5
Code benchmark

#282 NikoOinonen closed 4 months ago
29
Make scanner work when scan_dim is passed as a non-tuple array

#281 NikoOinonen closed 5 months ago
0
Temporarily disable one of the CI tests.

#280 NikoOinonen closed 5 months ago
0
Continuous-integration tests keep failing, blocking any new pull request

#279 mondracek closed 4 weeks ago
10
LCPD for general ranges of bias, amplitudes, tip charge and cantilever stiffness

#278 mondracek closed 3 months ago
9
Figure out electrostatics in FDBM

#277 mondracek opened 5 months ago
0
Fixing FHI-aims electron densities for FDBM

#276 NikoOinonen opened 7 months ago
8
Implement `PpafmParameters` class based on `pydantic.BaseModel`

#275 yakutovicha closed 2 months ago
7
[pre-commit.ci] pre-commit autoupdate

#274 pre-commit-ci[bot] closed 7 months ago
1
Generator update

#273 NikoOinonen closed 7 months ago
2
Make KPFM work for a range of amplitudes, probe-particle stiffness parameters etc.

#272 mondracek closed 3 months ago
0
updated naming in README and addding the arxiv manuscript

#271 ondrejkrejci closed 7 months ago
4
KPFM examples

#270 mondracek closed 7 months ago
8
Python API GPU tutorial

#269 NikoOinonen closed 8 months ago
5
Add tutorial for the AFMulator

#268 NikoOinonen closed 8 months ago
0
Tutorials for using the GPU-accelerated Python API

#267 NikoOinonen opened 8 months ago
0