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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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Address Python3 and numpy floats #84

Open madscatt opened 1 month ago

madscatt commented 1 month ago

There seems to be some python 3 specific issues regarding using float or numpy.float32 or numpy.float when using methods in zazmol in zazzie; especially with Python C-extensions. Investigate this and find the best solution. Implement changes to code and tests.