Closed mrossinek closed 10 months ago
This adds support for nroots > 1 to the PySCFGroundStateSolver. Technically, this would make it an ExcitedStatesSolver, but I do not think that differentiating this interface adds any value and is therefore unnecessary complexity.
nroots > 1
PySCFGroundStateSolver
ExcitedStatesSolver
Summary
This adds support for
nroots > 1
to thePySCFGroundStateSolver
. Technically, this would make it anExcitedStatesSolver
, but I do not think that differentiating this interface adds any value and is therefore unnecessary complexity.Details and comments