BoothGroup / Vayesta

A Python package for wave function-based quantum embedding
Apache License 2.0
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updated the ci no couplings for pygnme update, and unequal active spaces #116

Closed abhishekkhedkar09 closed 1 year ago

abhishekkhedkar09 commented 1 year ago

This makes a few changes to wick.wick_orbitals calls in calc_nonorth_couplings to update the code accordingly for the changes in pygnme. the pygnme pr can be merged after this