user can pass init_state

hamlib/_common/hamiltonian_simulation_exact.py

@@ -128,7 +128,7 @@ def construct_hamiltonian(n_spins: int, hamiltonian: str, w: float, hx : list[fl
     else:
         raise ValueError("Invalid Hamiltonian specification.")
 
-def HamiltonianSimulationExact(n_spins: int):
+def HamiltonianSimulationExact(n_spins: int, init_state=None):
     """
     Perform exact Hamiltonian simulation using classical matrix evolution.
 
@@ -144,16 +144,16 @@ def HamiltonianSimulationExact(n_spins: int):
     Returns:
         dict: The distribution of the evolved state.
     """
-    _, hamiltonian_sparse, _ = create_circuit(n_spins)
-    time_problem = TimeEvolutionProblem(hamiltonian_sparse, 0.2, initial_state=initial_state(n_spins, 'checkerboard'))
+    _, hamiltonian_sparse, _ = create_circuit(n_spins=n_spins, init_state=init_state)
+    time_problem = TimeEvolutionProblem(hamiltonian_sparse, 0.2, initial_state=initial_state(n_spins, init_state))
     result = SciPyRealEvolver(num_timesteps=1).evolve(time_problem)
 
     # if verbose:
     #   print (result)
 
     return result.evolved_state.probabilities_dict()
 
-def HamiltonianSimulationExact_Noiseless(n_spins: int):
+def HamiltonianSimulationExact_Noiseless(n_spins: int, init_state=None):
     """
     Simulate a quantum Hamiltonian circuit for a specified number of spins using a noiseless quantum simulator.
     
@@ -172,7 +172,7 @@ def HamiltonianSimulationExact_Noiseless(n_spins: int):
         that measures qubits and returns a count of the measurement outcomes. The function assumes that the circuit 
         creation and the simulator are perfectly noiseless, meaning there are no errors during simulation.
     """
-    qc, _, _ = create_circuit(n_spins)
+    qc, _, _ = create_circuit(n_spins=n_spins,init_state=init_state)
     num_shots = 100000
     backend = Aer.get_backend("qasm_simulator")
     # Transpile and run the circuits

hamlib/qiskit/hamlib_simulation_benchmark.py

@@ -31,7 +31,6 @@
 from hamlib_simulation_kernel import HamiltonianSimulation, kernel_draw, get_valid_qubits
 from hamlib_utils import create_full_filenames, construct_dataset_name
 from hamiltonian_simulation_exact import HamiltonianSimulationExact, HamiltonianSimulationExact_Noiseless
-# from hamlib_test import create_circuit, HamiltonianSimulationExact
 from qiskit_algorithms import TimeEvolutionProblem, SciPyRealEvolver
 
 min_qubits = 0
@@ -123,12 +122,12 @@ def analyze_and_print_result(qc, result, num_qubits: int,
 
     # Precalculated correct distribution
     if method == 1:
-        correct_dist = HamiltonianSimulationExact_Noiseless(num_qubits)
+        correct_dist = HamiltonianSimulationExact_Noiseless(n_spins=num_qubits,init_state=init_state)
     elif method == 2:
         if verbose:
             print(f"... begin exact computation ...")
         ts = time.time()
-        correct_dist = HamiltonianSimulationExact(num_qubits)
+        correct_dist = HamiltonianSimulationExact(n_spins=num_qubits,init_state=init_state)
         if verbose:
             print(f"... exact computation time = {round((time.time() - ts), 3)} sec") 
     elif method == 3:
@@ -214,7 +213,7 @@ def initial_state(n_spins: int, initial_state: str = "checker") -> QuantumCircui
 def run(min_qubits: int = 2, max_qubits: int = 8, max_circuits: int = 3,
         skip_qubits: int = 1, num_shots: int = 100,
         hamiltonian: str = "TFIM", method: int = 2,
-        use_XX_YY_ZZ_gates: bool = False, random_pauli_flag: bool = False, init_state: str = "checkerboard",
+        use_XX_YY_ZZ_gates: bool = False, random_pauli_flag: bool = False, init_state: str = None,
         backend_id: str = None, provider_backend = None,
         hub: str = "ibm-q", group: str = "open", project: str = "main", exec_options = None,
         context = None, api = None):
@@ -243,6 +242,9 @@ def run(min_qubits: int = 2, max_qubits: int = 8, max_circuits: int = 3,
         None
     """
 
+    if init_state == None:
+        init_state = "checkerboard"
+
     hamlib_simulation_kernel.filename = create_full_filenames(hamiltonian)
     hamlib_simulation_kernel.dataset_name_template = construct_dataset_name(hamlib_simulation_kernel.filename)
 
@@ -308,7 +310,7 @@ def execution_handler(qc, result, num_qubits, type, num_shots):
             hz = precalculated_data['hz'][:num_qubits]
 
             qc = HamiltonianSimulation(num_qubits, K=k, t=t,
-                    hamiltonian=hamiltonian,
+                    hamiltonian=hamiltonian, init_state=init_state,
                     w=w, hx = hx, hz = hz, 
                     use_XX_YY_ZZ_gates = use_XX_YY_ZZ_gates,
                     method = method)
@@ -358,7 +360,7 @@ def get_args():
     parser.add_argument("--nonoise", "-non", action="store_true", help="Use Noiseless Simulator")
     parser.add_argument("--verbose", "-v", action="store_true", help="Verbose")
     parser.add_argument("--random_pauli_flag", "-ranp", action="store_true", help="random pauli flag")
-    parser.add_argument("--init_state", "-init", default="checkerboard", help="initial state")
+    parser.add_argument("--init_state", "-init", default=None, help="initial state")
     return parser.parse_args()
 
 # if main, execute method

hamlib/qiskit/hamlib_simulation_kernel.py

@@ -154,7 +154,7 @@ def create_trotter_steps(num_trotter_steps, evo, operator, circuit):
     circuit.barrier()
     return circuit
 
-def create_circuit(n_spins: int, time: float = 0.2, num_trotter_steps: int = 5, method = 1):
+def create_circuit(n_spins: int, time: float = 0.2, num_trotter_steps: int = 5, method = 1, init_state=None):
     """
     Create a quantum circuit based on the Hamiltonian data from an HDF5 file.
 
@@ -200,7 +200,7 @@ def create_circuit(n_spins: int, time: float = 0.2, num_trotter_steps: int = 5,
         circuit_without_initial_state = QuantumCircuit(operator.num_qubits)
 
         # first insert the initial_state
-        init_state = "checkerboard"
+        # init_state = "checkerboard"
         QCI_ = initial_state(num_qubits, init_state)
         circuit.append(QCI_, range(operator.num_qubits))
         circuit.barrier()
@@ -252,7 +252,7 @@ def initial_state(n_spins: int, initial_state: str = "checker") -> QuantumCircui
 
 def HamiltonianSimulation(n_spins: int, K: int, t: float,
             hamiltonian: str, w: float, hx: list[float], hz: list[float],
-            use_XX_YY_ZZ_gates: bool = False,
+            use_XX_YY_ZZ_gates: bool = False, init_state=None,
             method: int = 1) -> QuantumCircuit:
     """
     Construct a Qiskit circuit for Hamiltonian simulation.
@@ -284,7 +284,7 @@ def HamiltonianSimulation(n_spins: int, K: int, t: float,
 
     hamiltonian = hamiltonian.strip().lower()
 
-    qc, ham_op, evo = create_circuit(n_spins = n_spins, method = method)
+    qc, ham_op, evo = create_circuit(n_spins = n_spins, method = method, init_state=init_state)
 
     # Save smaller circuit example for display
     global QC_, HAM_, EVO_