sasop.py to operate.py - Githubissues

madscatt / zazmol

Library for defining molecular objects to create simulation and analysis programs To install: python setup.py install dependencies: numpy, mocker

GNU General Public License v3.0

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Open madscatt opened 7 years ago

madscatt commented 7 years ago

There is some stale code in the new operate.py that needs to be replaced with git/sasmol/sasop.py methods for pmi alignment.

madscatt commented 7 years ago

Need to also deal with potential divide by zero issue.