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theochem / fanpy

Projectively-optimized geminal and "fancyCI" wavefunctions
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Separate out cache function from olp #48

Closed kimt33 closed 7 years ago

kimt33 commented 7 years ago

Write separate method for creating and storing the cache-able function when calculating overlap. Polish up geminal code (fix bugs, allow generic pairing scheme) Add rank2 approximation (probably needs to be fixed)