NRG data container

NrgData stores the iteration-wise data generated by the NRG workflow, including eigenvalues, kept states, and other quantities needed for thermodynamic or spectral analysis.

How iteration snapshots are stored

NrgData attaches to an nrgcore object and uses h5stream to persist the state needed to restore a Wilson shell. saveCurrentData creates a group named /NrgItrN/ for the current iteration N and writes the sector diagonalization matrices, current and previous quantum-number sectors, sector eigenvalues, coupled-basis indices, and kept-state indices. The combined energy list is written separately under EigenvaluesN.

The class also provides explicit saveqOperator and loadqOperator operations. These store each operator as a list of sector-block coordinates and matrix dimensions alongside the block data; they are separate from saveCurrentData. loadCurrentData restores a selected iteration into the attached NRG object, while saveFinalState records the saved iteration indices and relative ground-state energies used by later processing.

If no path is supplied, the container creates a temporary HDF5 file. clear closes and removes the backing file, including when its path was supplied by the caller; use close when the data should be preserved. The attached NRG object must remain alive while snapshots are saved to or loaded from it.

For the full generated API reference, see the NrgData class documentation.