Merge pull request #534 from Avimita-amc8313/hamlib-changes

fixed tiny error and fixed depth-width issue for hamlib

hamlib/qiskit/hamlib_simulation_kernel.py

@@ -396,7 +396,7 @@ def HamiltonianSimulation(n_spins: int, K: int, t: float,
             EVO_ = evo
 
     # Collapse the sub-circuits used in this benchmark (for Qiskit)
-    qc2 = qc.decompose()
+    qc2 = qc.decompose().decompose()
 
     return qc2
 
@@ -634,7 +634,7 @@ def kernel_draw(hamiltonian: str = "heisenberg", use_XX_YY_ZZ_gates: bool = Fals
         print(transpile(qctt, optimization_level=3))
 
         if QCI_ is not None:
-            print("  Initial State {QCI_.name}:")
+            print(f"  Initial State {QCI_.name}:")
             print(QCI_)
 
     else:

hamlib/qiskit/hamlib_utils.py

@@ -177,7 +177,8 @@ def process_hamiltonian_file(filename, dataset_name):
     """
     url_mapping = {
         'tfim.hdf5': 'https://portal.nersc.gov/cfs/m888/dcamps/hamlib/condensedmatter/tfim/tfim.zip',
-        'FH_D-1.hdf5': 'https://portal.nersc.gov/cfs/m888/dcamps/hamlib/condensedmatter/fermihubbard/FH_D-1.zip'
+        'FH_D-1.hdf5': 'https://portal.nersc.gov/cfs/m888/dcamps/hamlib/condensedmatter/fermihubbard/FH_D-1.zip',
+        'all-vib-h2o.hdf5': 'https://portal.nersc.gov/cfs/m888/dcamps/hamlib/chemistry/vibrational/'
         # Add more mappings as needed
     }
 
@@ -284,6 +285,7 @@ def view_hdf5_structure():
         "tfim1:downloaded_hamlib_files/tfim.hdf5:graph=1D-grid-pbc-qubitnodes",
         "tfim2:downloaded_hamlib_files/tfim.hdf5",
         "fermi-hubbard:downloaded_hamlib_files/FH_D-1.hdf5:fh=graph-1D-grid-nonpbc-qubitnodes",
+        "MVS-H2O:downloaded_hamlib_files/all-vib-h2o.hdf5",
         # Add more entries as needed
     ]
     extract_variable_ranges(file_input)
@@ -327,18 +329,6 @@ def get_args():
 
     if args.num_qubits > 0: args.min_qubits = args.max_qubits = args.num_qubits
 
-    # dataset_name = 'graph-1D-grid-nonpbc-qubitnodes_Lx-4_h-0.1'
-    # filename = 'tfim.hdf5'
-    dataset_name = 'fh-graph-1D-grid-nonpbc-qubitnodes_Lx-3_U-0_enc-jw'
-    filename = 'FH_D-1.hdf5'
-
-    data = process_hamiltonian_file(filename, dataset_name)
-    # if data is not None:
-    #     # print("Raw Hamiltonian Data: ",data)
-    #     print("Data extracted")
-    # else:
-    #     print("No data extracted.")
-
     print("\n\n\n\nPrinting the structure of the hdf5 file")
     view_hdf5_structure()
     '''