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Probe-Particle / ppafm

Classical force field model for simulating atomic force microscopy images.
MIT License
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Invalid command option in Wiki #307

Closed huangchieh closed 1 month ago

huangchieh commented 1 month ago

In wiki document,

  1. Calculation of Lennard-Jones and Electrostatic forcefield over sample. This is done by running the script (all the ppafm scripts are explained here): 
    ppafm-generate-ljff -i input.xyz -q

the option -q seems not valid. 

> ppafm-generate-ljff -i PTCDA.xyz  -q
usage: ppafm-generate-ljff [-h] -i INPUT [-F INPUT_FORMAT] [-f OUTPUT_FORMAT] [--ffModel FFMODEL] [-E] [--noPBC]
ppafm-generate-ljff: error: unrecognized arguments: -q
ondrejkrejci commented 1 month ago

Hi @huangchieh - It was comming from older version of the code. Please have a look at the wiki, which is updated now and should be clear about it. Feel free to reopen the issue, if you still find it problematic. Thank you for spotting this!