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electronic-structure

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obriente
obriente commented Jul 30, 2020

To get this codebase up to standard, we need to add type hints. At the very least, perhaps we should start insisting that all new code has type hints added, but moreover we need to add typing to the code that currently exists.

This is a pretty large project, but luckily it can be done incrementally - I believe at this point it's a stretch goal for v1, if anyone wants to help it would be much ap

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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