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shivupa / polyquant

Multiple quantum particles
MIT License
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Consistent MO phase. #72

Closed shivupa closed 2 years ago

shivupa commented 2 years ago

We need a consistent phase on the resulting MOs I think thisis messing up the "mixed part ham double test" which will need to be updated.

shivupa commented 2 years ago

This commit had the code to do this https://github.com/shivupa/polyquant/pull/70/commits/e3ec76f7a7cee31a593b574fa1fbb43ee7a3705e but it will require the update of many tests along the way to use this