Vocabulary and dictionaries

1 view
Skip to first unread message

Peter Murray-Rust

unread,
Jun 14, 2011, 8:59:16 AM6/14/11
to Quixote mail list
I now have good parses for a number of Gaussian and NWChem files and will extract the IDs for dictionary entries that I think should be in a toplevel compchem dictionary. There will be quite a lot (probably 100+). I will post these either in the JUMBO distrib or on the wiki or both. I hope to do this today.

Sam needs a title/term *in the dictionary" for each of these. I will make some guesses.

There may be some ducktyping of local form. Thus a dipole can be reported as a scalar quantity or a vector. Software can check for the actual form and take appropriate action.

P.

--
Peter Murray-Rust
Reader in Molecular Informatics
Unilever Centre, Dep. Of Chemistry
University of Cambridge
CB2 1EW, UK
+44-1223-763069

Pablo Echenique

unread,
Jun 14, 2011, 1:44:03 PM6/14/11
to quixot...@googlegroups.com
Hi,
tomorrow I am in a travel,
but after that I can help with anything.
Best,
  Pablo. 
Reply all
Reply to author
Forward
0 new messages