classical forcefiled model for simulation atomic force microscopy images
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cpp possibility of tip_base electric forcefield added, tests and commenta… Feb 25, 2018
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examples Electrostatics a little bit repaired and updated Nov 9, 2018
pyProbeParticle Electrostatics a little bit repaired and updated Nov 9, 2018
tentative renaming test to tentative Nov 7, 2018
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README.md link to wiki added Nov 7, 2018
clean generateForceField relaxed_scan and plot_results works with new pakca… Nov 30, 2015
convolvePot.py Change in reading/writing XSF files Jan 26, 2017
generateElFF.py Tip density also from cube is possible Apr 18, 2018
generateLJFF.py multipole from point charges possible Nov 6, 2018
plotLine.py Change in reading/writing XSF files Jan 26, 2017
plotZ.py Change in reading/writing XSF files Jan 26, 2017
plotZcurves.py multipole from point charges possible Nov 6, 2018
plot_results.py some further changes to IETS Oct 16, 2018
relaxed_scan.py small repair of generateElff.py & speeding up relaxed_scan.py if tip_… Mar 22, 2018
xsf2png.py Change in reading/writing XSF files Jan 26, 2017

README.md

Probe Particle Model

This is implementation of efficient and simple model for simulation of High-resolution atomic force microscopy (AFM), scanning probe microscopy (STM) and inelastic tunneling microscopy (IETS) images using classical forcefileds.

There are two versions of the code -

WIKI

More details about the code and its usage can be found here

References

New Interactive Real-time GUI using OpenGL

While C++ core can computed typical 3D stack of ~40 images in ~1 minute, using power of modern GPUs additional acceleration by factor of ~100x can be achieved. This makes it feasible to use PPmodel in form of an interactive GUI where simulated images are immediately updated upon change of experimental parameters (e.g. tip charge and striffness) or of input atomic geometry (e.g. positions and atomic charges). This may be very usefull for experimentalist which just want quick idea how an AFM picture they youst measure correspond to the atomistic model they consider.

The OpenGL GUI version si more-or-less finished with most of functionality implemented. The code is however not yet merged to master branch. It can be found in independent branch here: https://github.com/ProkopHapala/ProbeParticleModel/tree/OpenCL