Probe-Particle / ppafm

Classical force field model for simulating atomic force microscopy images.
MIT License
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The "tip" option in params.ini does not work #256

Open mondracek opened 7 months ago

mondracek commented 7 months ago

Tested on ppafm/cli/generateElFF.py. If the tip multipole, eg.g. "dz2", is supplied by the line tip "dz2" in the params.ini file rather than by the --tip "dz2" command line option, it gets being ignored and the default "s" shape (monopole) will be used instead.

This seems to be because a parameter read from params.ini will later be overwritten by a command-line argument of the same name, even if the command-line argument is not explicitly specified at all but only set by default. Therefore, the same behavior can be expected for any parameter in params.ini that has a counterpart in a command line argument.