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 -
- currently developed Python/C++ version in PyProbe_nonOrtho (branch master );
- to get quick esence of this model you can also try web interface hostet here: http://nanosurf.fzu.cz/ppr/
- for more details see wikipage: https://github.com/ProkopHapala/ProbeParticleModel/wiki
- Legacy fortran version in SHTM_springTip2 (branch fortran );
- more detailed description o the fortran version is here: http://nanosurf.fzu.cz/wiki/doku.php?id=probe_particle_model
More details about the code and its usage can be found here
- Prokop Hapala, Georgy Kichin, Christian Wagner, F. Stefan Tautz, Ruslan Temirov, and Pavel Jelínek, Mechanism of high-resolution STM/AFM imaging with functionalized tips, Phys. Rev. B 90, 085421 – Published 19 August 2014
- Prokop Hapala, Ruslan Temirov, F. Stefan Tautz, and Pavel Jelínek, Origin of High-Resolution IETS-STM Images of Organic Molecules with Functionalized Tips, Phys. Rev. Lett. 113, 226101 – Published 25 November 2014,
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