I have created a very alpha version of the NWChem parser - which I shall commit soon - and this raises the question of dictionaries. There is a need for a dependency structure - e.g. nwchemDict will depend on compchemDict which will depend (say) on units.dict.
I think the dependencies may have to be explicit in the dictionaries but I am wondering if a Lensfield/maven approach to manage them may be useful.
Thoughts?
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Peter Murray-Rust
Reader in Molecular Informatics
Unilever Centre, Dep. Of Chemistry
University of Cambridge
CB2 1EW, UK
+44-1223-763069