From: Karol L. <kar...@kn...> - 2007-02-22 12:07:34
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On Thursday 22 of February 2007 08:52, Noel O'Boyle wrote: > What remains to do before release: > (1) Documentation (volume.py...Noel) > (2) Jaguar mpenergies for water at MP2/3/4/5...no need for all the > orbitals and overlap matrices > (3) coreelectron tests and parsing (may need test files) > (4) Change testcda.py into unittest format > > Anything else? > > Noel *(2) If we get some test files for Jaguar MP runs, I'll add the parsing code. I added a note on the wiki about moenergies. -- written by Karol Langner Thu Feb 22 13:05:25 CET 2007 |