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use dtype attribute instead of iscomplex where appropriate #378

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merged 3 commits into from
Feb 26, 2023

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willwheelera
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In several places, we use statements like dtype=complex if wf.iscomplex else float.

These are replaced by dtype=wf.dtype.

Orbitals have ao_dtype as well as mo_dtype, since AOs may be real even if MO coefficients are complex.

@lkwagner lkwagner merged commit 1d6352c into WagnerGroup:master Feb 26, 2023
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