Corrects default molecule coordinates to an empty numpy array #192
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Setting it as `None` led to other problems. It will be set to an empty array as default, and as a filled array with 3 values (x, y, and z coordinates) when determined.
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Seems to fix the unit test errors. |
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Originally set as
None, however this is incorrect and leads to other issues. The default should be an empty numpy array, as it is later filled in QMTP with a numpy array with x, y, and z coordinates.