inquanto-hamlib

InQuanto Dummy extension.

class HamLibDatasetLoader(url)

Creates a dataset loader to load fermion operators, qubit operators and their properties from HDF5 and CSV files.

Parameters:

url (str) – URL of a HDF5 or CSV file.

Note

Main URL: https://portal.nersc.gov/cfs/m888/dcamps/hamlib/

Example

>>> base_url = "https://portal.nersc.gov/cfs/m888/dcamps/hamlib/"
>>> path = "chemistry/electronic/hydrogen_data/H2_linear/ES_H2_linear_R0.5_sto-6g.zip"
>>> loader = HamLibDatasetLoader(base_url + path)

get_fermion_operator(key='ham_molec')

Create a fermion operator from HDF5 file at given key.

Parameters:

key (str, default: "ham_molec") – Key of the operator dataset.

Returns:

FermionOperator – FermionOperator object.

get_qubit_operator(key='ham_JW')

Create a qubit operator from HDF5 file at given key.

Parameters:

key (str, default: "ham_JW") – Key of the operator dataset.

Returns:

QubitOperator – QubitOperator object.

print_hdf5_ham_properties()

Print properties of a hamiltonian from a given HDF5 file using ‘ham_props’ key.

Useful for chemistry examples.

Return type:

None

print_hdf5_structure()

Print path structure of given HDF5 file. Useful especially for chemistry examples.

Return type:

None

print_keys_csv(index_range=None, string_search=None)

Print keys from a CSV file, used later to read operators from HDF5 files.

Optional index range and string search key can be used to filer the results. Useful for condensed matter examples.

Parameters:

• index_range (Optional[slice], default: None) – slice index of dataframe in CSV file.

• string_search (Optional[str], default: None) – string search key to filter the data in CSV file.

Return type:

None