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hartree-fock

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jjgoings
jjgoings commented Nov 23, 2020

It would be good to toggle on or off real vs complex arithmetic.

Right now we (for the most part) treat everything as complex-valued, because the goal at the time was to allow for real-time electronic dynamics. For most users this is just additional computational overhead, so it would be good to implement the ability to switch between real and complex, and include safeguards to force complex if

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