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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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calculate PMI tests #53

Closed madscatt closed 1 year ago

madscatt commented 7 years ago

Eigenvectors and eigenvalues are now returned sorted. The expected test results for the comparison assert() tests need to be updated with the new correct results for tests to pass.

madscatt commented 1 year ago

Done