add spin to adapt_ansatz arguments

sandbox-quantum · Nov 1, 2022 · 0aea371 · 0aea371
1 parent dc0e95e
commit 0aea371
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Showing 2 changed files with 5 additions and 3 deletions.
diff --git a/tangelo/algorithms/variational/adapt_vqe_solver.py b/tangelo/algorithms/variational/adapt_vqe_solver.py
@@ -153,7 +153,7 @@ def build(self):
         # Build / set ansatz circuit.
         ansatz_options = {"mapping": self.qubit_mapping, "up_then_down": self.up_then_down,
                           "reference_state": "HF" if self.ref_state is None else "zero"}
-        self.ansatz = ADAPTAnsatz(self.n_spinorbitals, self.n_electrons, ansatz_options)
+        self.ansatz = ADAPTAnsatz(self.n_spinorbitals, self.n_electrons, self.spin, ansatz_options)
 
         # Build underlying VQE solver. Options remain consistent throughout the ADAPT cycles.
         self.vqe_options = {"qubit_hamiltonian": self.qubit_hamiltonian,

diff --git a/tangelo/toolboxes/ansatz_generator/adapt_ansatz.py b/tangelo/toolboxes/ansatz_generator/adapt_ansatz.py
@@ -32,6 +32,7 @@ class ADAPTAnsatz(Ansatz):
     Attributes:
         n_spinorbitals (int): Number of spin orbitals in a given basis.
         n_electrons (int): Number of electrons.
+        spin (int): Spin of system.
         operators (list of QubitOperator): List of operators to consider at the
             construction step. Can be useful for restarting computation.
         ferm_operators (list of FermionOperator): Same as operators, but in
@@ -43,7 +44,7 @@ class ADAPTAnsatz(Ansatz):
         circuit (Circuit): Quantum circuit defined by a list of Gates.
     """
 
-    def __init__(self, n_spinorbitals, n_electrons, ansatz_options=None):
+    def __init__(self, n_spinorbitals, n_electrons, spin, ansatz_options=None):
         default_options = {"operators": list(), "ferm_operators": list(),
                            "mapping": "jw", "up_then_down": False,
                            "reference_state": "HF"}
@@ -60,6 +61,7 @@ def __init__(self, n_spinorbitals, n_electrons, ansatz_options=None):
 
         self.n_spinorbitals = n_spinorbitals
         self.n_electrons = n_electrons
+        self.spin = spin
 
         self.var_params = None
         self.circuit = None
@@ -105,7 +107,7 @@ def update_var_params(self, var_params):
     def prepare_reference_state(self):
         """Prepare a circuit generating the HF reference state."""
         if self.reference_state.upper() == "HF":
-            return get_reference_circuit(n_spinorbitals=self.n_spinorbitals, n_electrons=self.n_electrons, mapping=self.mapping, up_then_down=self.up_then_down)
+            return get_reference_circuit(n_spinorbitals=self.n_spinorbitals, n_electrons=self.n_electrons, mapping=self.mapping, up_then_down=self.up_then_down, spin=self.spin)
         else:
             return Circuit(n_qubits=get_qubit_number(self.mapping, self.n_spinorbitals))