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qmlcode / qml

QML: Quantum Machine Learning
MIT License
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Remove most of qml7 xyz files #63

Open larsbratholm opened 6 years ago

larsbratholm commented 6 years ago

There is no reason to have more than a few. If many is needed for a test we can include a pickle with coordinates / nuclear charges

andersx commented 6 years ago

I agree. There are separate tests for the xyz parsing, so would not interfere with anything. Could use ASE or a datacontainer class