Should there be separate method for original SIMPOL.1?

[Aariq]

Should volcalc have an option to use the original Pankow & Asher SIMPOL coefficients in addition to the version modified in Meredith et al. (e.g. that adds coefs for amides, sulfates, etc.). It seems like users might want the option to use the original.

[KristinaRiemer]

That's a good question!

[Aariq]

Another follow-up question is whether calc_vol() should accept multiple methods. That would probably involve appending the method name to output columns like log_P_simpol1, volatililty_simpol1, log_P_meredith, volatility_meredith, etc.

[Aariq]

Discussed at meeting and yes, there should be options for "meredith" and "simpol1"