classical forcefiled model for simulation atomic force microscopy images
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Latest commit 658027b Oct 16, 2018

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 -

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