From dbd8172fb7bd857e7b56fa01d843a192de144000 Mon Sep 17 00:00:00 2001 From: "J. S. Kottmann" Date: Thu, 4 Apr 2024 20:40:05 +0200 Subject: [PATCH] Update orbital_optimizer.py --- src/tequila/quantumchemistry/orbital_optimizer.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/tequila/quantumchemistry/orbital_optimizer.py b/src/tequila/quantumchemistry/orbital_optimizer.py index 8eb90255..6a3579d0 100644 --- a/src/tequila/quantumchemistry/orbital_optimizer.py +++ b/src/tequila/quantumchemistry/orbital_optimizer.py @@ -281,7 +281,7 @@ def kernel(self, h1, h2, *args, **kwargs): optimizer_arguments["silent"] = True if not self.history: - if (self.vqe_solver_arguments is not None) and ("initial_values" not in self.vqe_solver_arguments): + if (self.vqe_solver_arguments is None) or ("initial_values" not in self.vqe_solver_arguments): initial_values = {k: 0 for k in E.extract_variables()} else: initial_values = self.vqe_solver_arguments["initial_values"]