From: Miguel <mi...@jm...> - 2004-10-22 19:24:15
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I have done some work on the 'show model'/'show models' command It now enumerates the modelIndex:modelNumber:modelName triplet The text format is subject to change For a Gaussian file, for example, it will list the frequencies as the modelNames. In the future we will incorporate this into the user interface. Rene, you can use this to work on the NWChemReader to get it to supply AtomSetNames. Also, I observe that the Gaussian files can have more than one refinement= . All are labeled 'Standard orientation:' ... What is a small amount of distinguishing information that we could use to give them unique names? Miguel -------------------------------------------------- Michael T. Howard michael=40howards.org 23 Algonquin Avenue Andover, MA 01810-5523 tele 978-474-4559 USA cell 978-886-3697 -------------------------------------------------- |