From: Noel O'B. <bao...@gm...> - 2007-02-22 07:52:53
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I sent this to the wrong dev list first time :-) ---------- Forwarded message ---------- From: Noel O'Boyle <bao...@gm...> Date: 21-Feb-2007 20:21 Subject: Things to do before release To: openbabel-devel <ope...@li...> We are currently in the happy position of having all tests pass, which hasn't happened for quite some time. 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 |