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generating_potentials [2016/12/08 09:48] krejcio created |
generating_potentials [2017/01/26 14:55] |
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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: | ||
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- | python PATH_TO_YOUR_PROBE_PARTICLE_MODEL/gen_LJFF.py -i YOUR_INPUT_FILE | ||
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- | where the input file is in *.xyz *.xsf or *.cube. | ||
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- | Or it can be created ... |