Added open-shells/cleaned up chemistry observables

eclipse / xacc

XACC - eXtreme-scale Accelerator programming framework

https://xacc.readthedocs.io

BSD 3-Clause "New" or "Revised" License

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Closed danclaudino closed 1 year ago

danclaudino commented 1 year ago

Added functionality to chemistry observables to enable Hamiltonians for systems with unpaired electrons (ROHF)
Removed redundancies/unused variables from chemistry observables

Signed-off-by: Daniel Claudino 6d3@ornl.gov