diff --git a/gpu4pyscf/grad/tests/test_tduks_grad.py b/gpu4pyscf/grad/tests/test_tduks_grad.py index 53d7e7ed..65222743 100644 --- a/gpu4pyscf/grad/tests/test_tduks_grad.py +++ b/gpu4pyscf/grad/tests/test_tduks_grad.py @@ -167,7 +167,6 @@ def benchmark_with_finite_diff(mol_input, xc, delta=0.1, nstates=3, lindep=1.0E- noccb = len(occidxb) nvira = len(viridxa) nvirb = len(viridxb) - nao = mo_coeff[0].shape[0] if tda: td = gpu4pyscf.tdscf.uks.TDA(mf)