Wrong note on the *.xyz input format on Wiki

Probe-Particle / ppafm

Classical force field model for simulating atomic force microscopy images.

MIT License

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Wrong note on the *.xyz input format on Wiki #218

Open mondracek opened 10 months ago

mondracek commented 10 months ago

Our Wiki says about the *.xyz input: "Don't forget to clear the 2nd line of the xyz format !! " [with the exclamation marks!] but as far as I know, this is no more true after we have improved the functions for reading the geometry. It is even possible to specify lattice vectors in the comment line and in any case, the loadXYZ relies on the presence of the comment on the second line.

ondrejkrejci commented 10 months ago

Hi @mondracek. I removed that sentence. Is the bas format still possible? I am speaking mainly about this: https://github.com/Probe-Particle/ppafm/blob/d81e52294b5fdd97942c65884ff7e662146f6fda/ppafm/io.py#L51

I have also added a note about the POSCAR and CONTCAR option.