From 52ff3010bc267745cc54e83396b2560d34235d0c Mon Sep 17 00:00:00 2001 From: Adrian Mak <3521998+damarkian@users.noreply.github.com> Date: Fri, 15 Dec 2023 10:09:49 +0800 Subject: [PATCH] Update test_ucc.py ucc.mp2_amplitude test --- tests/test_ucc.py | 10 +++++++++- 1 file changed, 9 insertions(+), 1 deletion(-) diff --git a/tests/test_ucc.py b/tests/test_ucc.py index e806455..8b9a889 100644 --- a/tests/test_ucc.py +++ b/tests/test_ucc.py @@ -3,10 +3,18 @@ from scipy.optimize import minimize from qibochem.ansatz.hf_reference import hf_circuit -from qibochem.ansatz.ucc import ucc_circuit +from qibochem.ansatz.ucc import ucc_circuit, mp2_amplitude from qibochem.driver.molecule import Molecule from qibochem.measurement.expectation import expectation +def test_mp2_amplitude(): + h2 = Molecule([("H", (0.0, 0.0, 0.0)), ("H", (0.0, 0.0, 0.7))]) + h2.run_pyscf() + l = mp2_amplitude([0,1,2,3], h2.eps, h2.tei) + ref_l = 0.06834019757197053 + + assert np.isclose(l, ref_l) + def test_uccsd(): # Define molecule and populate