Probe-Particle ppafm issues

Probe-Particle / ppafm

Classical force field model for simulating atomic force microscopy images.

MIT License

50 stars 19 forks source link

issues

Newest

Newest Most commented Recently updated Oldest Least commented Least recently updated

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

#316 yakutovicha opened 2 weeks ago
0
Put back the "fit-density" option

#315 mondracek opened 2 weeks ago
0
Unify the storage for examples

#314 ondrejkrejci opened 2 weeks ago
6
Add density cutoff option to fix FDBM for all-electron densities.

#313 NikoOinonen opened 1 month ago
12
FDBM (Full-density based method) broken by recent changes

#312 mondracek opened 1 month ago
3
[pre-commit.ci] pre-commit autoupdate

#311 pre-commit-ci[bot] closed 1 month ago
0
Pydantic deprecation warning

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

#309 NikoOinonen closed 1 month ago
7
Problems with spline interpolation code.

#308 NikoOinonen closed 1 month 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 2 months ago
0
Sphinx docs failing

#304 NikoOinonen closed 2 months ago
0
fix comment handling

#303 LauriKurki closed 2 months ago
0
comments in params.ini not recognised

#302 LauriKurki closed 2 months 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 1 month ago
3
Fix some typos in examples.

#298 huangchieh closed 3 months ago
0
Update README.md

#297 yakutovicha closed 3 months ago
0
Update README.md

#296 ondrejkrejci closed 3 months ago
1
Automatic tests failed:

#295 ondrejkrejci closed 3 months ago
2
updating references - readme and paper_figure

#294 ondrejkrejci closed 3 months ago
1
Update links to the new paper

#293 NikoOinonen closed 3 months ago
7
Fix automated builds for MacOS.

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

#291 andr3ac closed 3 months ago
5
Fix reading atom_frac from geometry.in

#290 mondracek closed 4 months ago
2
Reading geometry.in with fractional coordinates incorrect

#289 mondracek closed 4 months ago
0
MacOS github runner deprecated

#288 NikoOinonen opened 4 months ago
2
Compatibility with NumPy 2.0

#287 NikoOinonen closed 4 months ago
1
Compatibility with Numpy 2.0

#286 NikoOinonen closed 4 months ago
3
[pre-commit.ci] pre-commit autoupdate

#285 pre-commit-ci[bot] closed 4 months ago
0
Mismatch between GPU and CPU simulations "pyridineDensOverlap" example

#284 andr3ac opened 5 months ago
2
Addressing point 1 of the reviewer.

#283 ondrejkrejci closed 3 months ago
5
Code benchmark

#282 NikoOinonen closed 5 months ago
29
Make scanner work when scan_dim is passed as a non-tuple array

#281 NikoOinonen closed 6 months ago
0
Temporarily disable one of the CI tests.

#280 NikoOinonen closed 6 months ago
0
Continuous-integration tests keep failing, blocking any new pull request

#279 mondracek closed 1 month ago
10
LCPD for general ranges of bias, amplitudes, tip charge and cantilever stiffness

#278 mondracek closed 4 months ago
9
Figure out electrostatics in FDBM

#277 mondracek opened 6 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 8 months ago
2
Make KPFM work for a range of amplitudes, probe-particle stiffness parameters etc.

#272 mondracek closed 4 months ago
0
updated naming in README and addding the arxiv manuscript

#271 ondrejkrejci closed 7 months ago
4
KPFM examples

#270 mondracek closed 8 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 9 months ago
0