Dear Richard, > Ps. The cutoff is determined based on the negative frequency and not on the > frequency of the line. Not sure if that is intentional or not, since I still > have not read the papers on why the cutoff exists. This is not a big > numerical issue but at most a potential mismatch in theory.
This is intentional, since in this way mirror lines that are far away are optimised away. I am fine with moving to a new system altogether, as you propose, but we have to make sure the program keeps working. We cannot first remove the working lineshapes, and then later introduce new ones. Best wishes, Stefan
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