test

.github/workflows/push_event_workflow.yml

@@ -1,4 +1,4 @@
-name: Push Event Workflow
+name: Push Event Workflow 🐍 
 
 on: push 
 
@@ -11,7 +11,9 @@ jobs:
       uses : actions/checkout@v4
 
     - name : Install Packages 
-      run : pip install pytest
+      run : pip install -r requirements.txt
 
-    - name : Run tests 
+    - name : Run tests hamiltonians
       run : pytest tests/test.py
+
+    - name : Run tests convergency

requirements.txt

@@ -9,8 +9,7 @@ pennylane-qiskit
 qiskit_ibm_provider
 pyyaml
 networkx
-basis-set-exchange
 ipykernel
 pennylane-lightning
 jaxopt
-optax
+optax

tests/test.py

@@ -1,8 +1,23 @@
+import pennylane as qml
+from pennylane import numpy as np
+from quantumsim.variational.vqe import vqe_spin, vqe_fermihubbard, vqe_molecular
+
+#Test the hamiltonian of the h2 molecule
 def test_hamiltonian_molecule():
+    #pennylane hamiltonian
+    elements=["H", "H"]
+    coord=np.array([0.0, 0.0, 0.0, 0.0, 0.0, 1.0])
+    H,q = qml.qchem.molecular_hamiltonian(elements, coord)
+
+    #vqepy class
+    Hvqe = vqe_molecular(elements, coord, {})
     assert 1==1
 
+#Test the hamiltonian of two spins 1/2
 def test_hamiltonian_spin():
     assert 1==1
 
+#Test the hamiltonian of three sites
 def test_hamiltonian_fh():
     assert 1==1
+