From b92ee1b6592e6176124fbbbc7b25356eae4e662e Mon Sep 17 00:00:00 2001 From: Maximilian Scheurer Date: Sat, 16 Jan 2021 13:21:17 +0100 Subject: [PATCH] lgtm and coveralls (hopefully) --- adcc/backends/psi4.py | 1 - 1 file changed, 1 deletion(-) diff --git a/adcc/backends/psi4.py b/adcc/backends/psi4.py index cec69dc8..9f6d270e 100644 --- a/adcc/backends/psi4.py +++ b/adcc/backends/psi4.py @@ -84,7 +84,6 @@ def correlated_gradient(self, g1_ao, w_ao, g2_ao_1, g2_ao_2): string = "TEI" + str(atom) deriv2 = self.mints.ao_tei_deriv1(atom) for p in range(3): - map_key = string + cart[p] deriv2_np = np.asarray(deriv2[p]) Gradient["TEI"][atom, p] += np.einsum( 'pqrs,prqs->', g2_ao_1, deriv2_np, optimize=True