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In general, I think it would be beneficial for xTB to adopt a solvent normalization scheme similar to what is done in CPCM-X. It would presumably just be a small update to normalizeSolventName, which currently just handles lowercasing the name.
Currently, any inconsistency in the names used for solvents (e.g. xTB only accepts DCM or ch2cl2 while CPCM-X until recently only accepted methylenechloride) will prevent CPCM_X from being used (or any future subprogram with differences in solvent name.
Solvent input only accepts
furane
, which is a much less common spelling of furan.Ideally it would use the common English name, or accept both.
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