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Probe-Particle
/
ppafm
Classical force field model for simulating atomic force microscopy images.
MIT License
49
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18
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Correct sign of densities and potentials in KPFM
#251
mondracek
closed
8 months ago
2
KPFM is wrong because of sign issues
#250
mondracek
closed
8 months ago
0
[pre-commit.ci] pre-commit autoupdate
#249
pre-commit-ci[bot]
closed
6 months ago
1
Paper figure
#248
NikoOinonen
closed
8 months ago
2
Figure out the open access policy of the journal we submit to
#247
yakutovicha
closed
7 months ago
2
Add example that plots the main figure of the new paper
#246
NikoOinonen
closed
8 months ago
0
Make KPAFM work with general bias voltage
#245
yakutovicha
closed
2 months ago
1
Write a wiki page about KPFM
#244
yakutovicha
opened
9 months ago
0
KPAFM: check that all examples working fine
#243
yakutovicha
closed
5 months ago
4
Add badges to the readme
#242
yakutovicha
closed
9 months ago
2
Fix codecov report
#241
yakutovicha
closed
9 months ago
2
Corrected IETS
#240
ProkopHapala
closed
9 months ago
5
Electric field scaling corrected for non-zero grid origin
#239
mondracek
closed
9 months ago
7
Wrong scaling of electric field with tip distance for an arbitrary tip origin
#238
mondracek
closed
9 months ago
0
repair in plot_results.py for IETS (still not fully working).
#237
ondrejkrejci
closed
10 months ago
5
nPBC z parameter should be 0 ?
#236
ondrejkrejci
opened
10 months ago
1
`ci.yml`: add codecov and update checkout action
#235
yakutovicha
closed
10 months ago
2
Remove the `examples/_bak` folder that has been accidentally brought bak
#234
yakutovicha
closed
10 months ago
0
Update the default parameters in `common.py`
#233
ondrejkrejci
opened
10 months ago
3
Create a class to manage simulation inputs
#232
yakutovicha
closed
2 weeks ago
0
Removes the directory examples/_bak
#231
mondracek
closed
10 months ago
1
Default scanning region
#230
mondracek
opened
10 months ago
1
Consider non-zero origin of the grid cell
#229
mondracek
closed
10 months ago
0
Run PTCDA_single example with pytest
#228
yakutovicha
closed
10 months ago
5
Fix OpenCL compilation not working during CI tests
#227
NikoOinonen
closed
10 months ago
0
CI tests failing on OpenCL compile
#226
NikoOinonen
closed
10 months ago
0
224 add openmp acceleration
#225
ProkopHapala
closed
10 months ago
26
add OpenMP acceleration?
#224
ProkopHapala
closed
10 months ago
2
Atoms with negative coordinates in non-periodic systems invisible (in the CPU version)
#223
mondracek
closed
10 months ago
0
Apply `pre-commit` for the whole repository
#222
yakutovicha
closed
10 months ago
1
Add multipole tip to CLI arguments
#221
NikoOinonen
opened
10 months ago
0
formating
#220
ProkopHapala
closed
10 months ago
5
Formatting
#219
NikoOinonen
closed
10 months ago
1
Wrong note on the *.xyz input format on Wiki
#218
mondracek
opened
10 months ago
1
Enable loading XSF files from FHI-AIMS
#217
mondracek
opened
10 months ago
5
Generate automatic lattice vectors in loadGeometry
#216
mondracek
closed
10 months ago
5
Work on cli tools
#215
yakutovicha
closed
10 months ago
1
Replace print statements with logging tools
#214
yakutovicha
opened
10 months ago
0
Automatic lattice vectors
#213
mondracek
closed
10 months ago
1
Add Python 3.12 to CI tests.
#212
NikoOinonen
closed
11 months ago
0
GUI: visual manipulation of atom positions
#211
NikoOinonen
opened
11 months ago
2
Protocol for dealing with formatting changes needed
#210
mondracek
closed
10 months ago
2
Fixed incorrect loading of aims .in and poscar files.
#209
NikoOinonen
closed
11 months ago
0
The examples in examples/_bak do not work
#208
mondracek
closed
10 months ago
4
Sign of atomic forces in the C++ version
#207
mondracek
closed
11 months ago
2
Fitting directory needs update
#206
mondracek
opened
11 months ago
0
Test examples with pytest
#205
yakutovicha
closed
10 months ago
0
Dockerfile: switch to extended-support image.
#204
yakutovicha
closed
11 months ago
0
Merging of new pull requests is blocked by automatic checks
#203
mondracek
closed
11 months ago
1
Improve Fz2df conversion
#202
mondracek
closed
11 months ago
5
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