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Generating force-fields and running AFM scans in PP-STM do not differ that much from those showed at http://nanosurf.fzu.cz/wiki/doku.php?id=probe_particle_model. However, all the grids created by the way are not in an xsf format but in npy binaries.
L-J force-field can be created by running:
python PATH_TO_YOUR_PROBE_PARTICLE_MODEL/gen_LJFF.py -i YOUR_INPUT_FILE
where the input file is in *.xyz *.xsf or *.cube.
Or it can be created …