From: Noel O'B. <bao...@gm...> - 2007-09-04 18:28:19
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On 04/09/07, Adam Tenderholt <a-t...@st...> wrote: > >> When "INPUT FILE" is found, it checks for scftargets as I figure all > >> calculations, finished or not, should have scftargets set. If so, it > >> logs a warning and skips to the end of the file. Sound reasonable? > > > > Maybe you should raise an Exception? I think our policy should be to > > not handle these files at all, and let the user know this. Otherwise, > > it will pass silently (except for the warning) through cclib...what do > > you think? > > Won't this just cause the parser to fail? > > I think we should have it > exit "sanely" by printing a warning/error message and skipping to the > end of the file. cclib's default loglevel is INFO, so this > information will be printed, and the results of the first calculation > will still be available. Maybe I was a little hasty...I guess you're right. > Adam > > |