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JohnKendrick / PDielec

PDielec is a Python package for post-processing solid state QM and MM calculations of Infrared Spectra
http://johnkendrick.github.io/PDielec/
MIT License
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Small typo in PlottingTab.py #3

Closed cbodensc closed 10 months ago

cbodensc commented 11 months ago

I was attempting to plot the absorption coefficient in the GUI using PDielec version 7.2.2. There appears to be a typo in the plot function in the PDielec/GUI/PlottingTab.py file (line 567) preventing the Plotting tab from generating a plot if the requested units are in wavenumbers. I think there is an extra "}" at the end of the line right before the closing "$". I verified by removing the extra "}" and the plots were generated correctly.

xlabel = r'Frequency $\mathdefault{(cm^{-1})}}$'

should be:

xlabel = r'Frequency $\mathdefault{(cm^{-1})}$'

cbodensc commented 11 months ago

It appears the same typo exists in the FitterTab.py file as well, on line 344.

JohnKendrick commented 10 months ago

Thanks - I'd picked up the PlottingTab error and it is fixed in version 8.0.0, but I had not seen the second error in the FitterTab, I will put out a fix for it.