Template Class NrgData#

Class Documentation#

template<typename nrgcore_type>
class NrgData#

This class provides a way to save the nrgcore internal data from the NRG calculation into a HDF5 file. The data is saved in a file and can be read back into the NRG calculation. This is useful for back-ward iteration of the of the nrg-iterations. Everything needed for NRG iteration can accessed from this this file. This class also provides functionality to read and write qOperator.

Template Parameters:

nrgcore_type – Type of the nrgcore object.

Param tfilename:

File name of the HDF5 file to save the data. If this is empty, a random file name is generated starting with the name tempfile.

Public Functions

inline explicit NrgData(const std::string &tfilename = "")#

This sets the nrg_object to nullptr and you need to specify the nrg_object by calling the setNRGObject function.

Parameters:

tfilename – File name of the HDF5 file to save the data.

inline void readFromFile(const std::string &tfile)#

Read the data from the file tfile into the nrg_object. This function is used to read the data back into the nrg_object for back-ward iteration of the NRG calculation.

inline void setFileName(const std::string &tfile)#

Set the file name of the HDF5 file to save the data.

inline explicit NrgData(nrgcore_type *t_nrg_object, const std::string &tfilename = "")#
inline void setNRGObject(nrgcore_type *t_nrg_object)#

Set the nrg_object to t_nrg_object.

inline void saveFinalState()#

We should call this function after the last iteration of the Wilson Chain.

inline void close()#

We should always call this function after the last iteration of the Wilson Chain to close file.

inline void clear()#

This \f \textbf{deletes} \f the temp file and closes the file.

inline void saveCurrentData()#

This saves data for the the current iteration state of the Wilson Chain.

inline void saveqOperator(std::vector<qOperator> *opr, const std::string &hgroup)#

Saves the qOperator in the file. This function is called after the qOperator is constructed and rotated in the eigenbasis after each iteration.

Parameters:

  • opr – qOperator to be saved.

  • hgroup – The group name in which the qOperator is to be saved. Remember pass same string when reading the qOperator from the file.

inline void loadqOperator(std::vector<qOperator> *opr, const std::string &hgroup)#

Reads the qOperator from the file. This function is called in the back-ward iteration of the Wilson Chain.

Parameters:

  • opr – qOperator to be read from the file.

  • hgroup – The group name in which the qOperator was saved.

inline void loadCurrentData()#
inline void loadCurrentData(int in)#

Loads the data from the file. This function is called in the back-ward iteration of the Wilson Chain.

Parameters:

in – The current iteration number or the Wilson number. We normally pass the nrg_object->nrg_iterations_cnt to this function. We set the impurity to the iteration number to be -1.

Public Members

bool debugIO = false#

Print Debugg Info.

std::vector<size_t> savedNRGIndex#

Nrg iteration Numbers for which higher energy states are discarded.