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Minor update to docs #126

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Feb 10, 2025
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Minor update to docs #126

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a5c9e10
Minor update to code blocks in tutorials
chmwzc Feb 5, 2025
ff6055b
Update index sidebar
chmwzc Feb 5, 2025
76a7c6e
Update README.md
chmwzc Feb 5, 2025
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6 changes: 3 additions & 3 deletions README.md
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Expand Up @@ -26,9 +26,8 @@ An example of building the UCCD ansatz with a H2 molecule
import numpy as np
from qibo.models import VQE

from qibochem.driver.molecule import Molecule
from qibochem.ansatz.hf_reference import hf_circuit
from qibochem.ansatz.ucc import ucc_circuit
from qibochem.driver import Molecule
from qibochem.ansatz import hf_circuit, ucc_circuit

# Define the H2 molecule and obtain its 1-/2- electron integrals with PySCF
h2 = Molecule([('H', (0.0, 0.0, 0.0)), ('H', (0.0, 0.0, 0.7))])
Expand All @@ -45,6 +44,7 @@ vqe = VQE(circuit, hamiltonian)

initial_parameters = np.random.uniform(0.0, 2*np.pi, 8)
best, params, extra = vqe.minimize(initial_parameters)
print(f"VQE result: {best:.10f}")
```

## Citation policy
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2 changes: 1 addition & 1 deletion doc/source/getting-started/quickstart.rst
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Expand Up @@ -14,7 +14,7 @@ Here is an example of building the UCCD ansatz with the H2 molecule to test your
import numpy as np
from qibo.models import VQE

from qibochem.driver.molecule import Molecule
from qibochem.driver import Molecule
from qibochem.ansatz import hf_circuit, ucc_circuit

# Define the H2 molecule and obtain its 1-/2- electron integrals with PySCF
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2 changes: 2 additions & 0 deletions doc/source/index.rst
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Expand Up @@ -72,6 +72,8 @@ Contents
Qibocal docs <https://qibo.science/qibocal/stable/>
Qibosoq docs <https://qibo.science/qibosoq/stable/>
Qibochem docs <https://qibo.science/qibochem/stable/>
Qibotn docs <https://qibo.science/qibotn/stable/>
Qibo-cloud-backends docs <https://qibo.science/qibo-cloud-backends/stable/>

Indices and tables
==================
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55 changes: 28 additions & 27 deletions doc/source/tutorials/adaptive.rst
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Expand Up @@ -277,7 +277,7 @@ This can be carried out until the difference between each iteration is small (<0


print("\nFinal circuit:")
print(circuit.draw())
circuit.draw()
print("\nCircuit statistics:")
print(circuit.summary())

Expand Down Expand Up @@ -316,32 +316,32 @@ Output:
Energy has converged; exiting while loop

Final circuit:
q0: ─X──────────────────────────────────────────────────────────────────── ...
q1: ─X──────────────────────────────────────────────────────────────────── ...
q2: ─X───o─H─o───RY─o─────RY───X─RY─────o─RY─o─X─H─o─────o─H─o───RY─o───── ...
q3: ─X───|───X───RY─|───X─RY─X─|─RY─X───|─RY─X─|───|─────|───X───RY─|───X─ ...
q4: ─────|──────────|───|────|─|────|───|──────|───|───o─X─────o────|───|─ ...
q5: ─────|──────────|───|────|─|────|───|──────|───|───|───────|────|───|─ ...
q6: ───o─X─────o────|───|────o─o────|───|──────o───X─o─|───────|────|───|─ ...
q7: ───X───H───X────X─H─o───────────o─H─X────────H───X─X───H───X────X─H─o─ ...

q0: ... ────────────────────────────────────────────────────────────────────── ...
q1: ... ────────────────────────────────────────────────────────────────────── ...
q2: ... RY───X─RY─────o─RY─o─X─H─o─────o─H─o───RY─o─────RY───X─RY─────o─RY─o─X ...
q3: ... RY─X─|─RY─X───|─RY─X─|───|─────|───X───RY─|───X─RY─X─|─RY─X───|─RY─X─| ...
q4: ... ───o─o────|───|──────o───X─o───|──────────|───|────|─|────|───|──────| ...
q5: ... ──────────|───|────────────|─o─X─────o────|───|────o─o────|───|──────o ...
q6: ... ──────────|───|────────────|─X───H───X────X─H─o───────────o─H─X─────── ...
q7: ... ──────────o─H─X────────H───X────────────────────────────────────────── ...

q0: ... ─────────o─H─o───RY─o─────RY───X─RY─────o─RY─o─X─H─o───
q1: ... ─────────|───X───RY─|───X─RY─X─|─RY─X───|─RY─X─|───|───
q2: ... ─H─o─────|──────────|───|────|─|────|───|──────|───|───
q3: ... ───|─────|──────────|───|────|─|────|───|──────|───|───
q4: ... ───|───o─X─────o────|───|────o─o────|───|──────o───X─o─
q5: ... ───X─o─X───H───X────X─H─o───────────o─H─X────────H───X─
q6: ... ─H───X─────────────────────────────────────────────────
q7: ... ───────────────────────────────────────────────────────
0: ─X──────────────────────────────────────────────────────────────────── ...
1: ─X──────────────────────────────────────────────────────────────────── ...
2: ─X───o─H─o───RY─o─────RY───X─RY─────o─RY─o─X─H─o─────o─H─o───RY─o───── ...
3: ─X───|───X───RY─|───X─RY─X─|─RY─X───|─RY─X─|───|─────|───X───RY─|───X─ ...
4: ─────|──────────|───|────|─|────|───|──────|───|───o─X─────o────|───|─ ...
5: ─────|──────────|───|────|─|────|───|──────|───|───|───────|────|───|─ ...
6: ───o─X─────o────|───|────o─o────|───|──────o───X─o─|───────|────|───|─ ...
7: ───X───H───X────X─H─o───────────o─H─X────────H───X─X───H───X────X─H─o─ ...

0: ... ────────────────────────────────────────────────────────────────────── ...
1: ... ────────────────────────────────────────────────────────────────────── ...
2: ... RY───X─RY─────o─RY─o─X─H─o─────o─H─o───RY─o─────RY───X─RY─────o─RY─o─X ...
3: ... RY─X─|─RY─X───|─RY─X─|───|─────|───X───RY─|───X─RY─X─|─RY─X───|─RY─X─| ...
4: ... ───o─o────|───|──────o───X─o───|──────────|───|────|─|────|───|──────| ...
5: ... ──────────|───|────────────|─o─X─────o────|───|────o─o────|───|──────o ...
6: ... ──────────|───|────────────|─X───H───X────X─H─o───────────o─H─X─────── ...
7: ... ──────────o─H─X────────H───X────────────────────────────────────────── ...

0: ... ─────────o─H─o───RY─o─────RY───X─RY─────o─RY─o─X─H─o───
1: ... ─────────|───X───RY─|───X─RY─X─|─RY─X───|─RY─X─|───|───
2: ... ─H─o─────|──────────|───|────|─|────|───|──────|───|───
3: ... ───|─────|──────────|───|────|─|────|───|──────|───|───
4: ... ───|───o─X─────o────|───|────o─o────|───|──────o───X─o─
5: ... ───X─o─X───H───X────X─H─o───────────o─H─X────────H───X─
6: ... ─H───X─────────────────────────────────────────────────
7: ... ───────────────────────────────────────────────────────

Circuit statistics:
Circuit depth = 78
Expand All @@ -353,6 +353,7 @@ Output:
h: 24
x: 4


Recall that the full UCCSD circuit for our system had a circuit depth of 1874, with more than 1000 CNOT gates required.
In contrast, the use of a simpler circuit ansatz in conjunction with an adaptive approach allowed us to find a VQE energy that is within chemical accuracy,
while using only 56 CNOT gates and with a final gate depth of only 78.
Expand Down
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