Change behaviour of bool and complex in VaspData

vasp-dev / py4vasp

Python interface for VASP

https://vasp.at/py4vasp/latest/

Apache License 2.0

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Open martin-schlipf opened 10 months ago

martin-schlipf commented 10 months ago

Behave such that VaspData provides numpy.complex and np.bool if the underlying provided array is actually a complex or bool respectively. Currently integers are used to represent bool and a (..., 2) shape array is used to represent complex.