From: Noel O'B. <bao...@gm...> - 2006-11-08 13:40:55
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I've just uploaded a small test file (water defined by a z-matrix with keyword NOSYM) for the r400 bugfix, but it fails to parse on the current HEAD due to some coreelectrons code looking for natom, which isn't defined (but should be). I'm checking in a regression.py with the failing test. Noel |