From de4bf97fbdf8abc696d76b968bb27015f79295a8 Mon Sep 17 00:00:00 2001 From: Sander Vandenhaute Date: Thu, 10 Oct 2024 01:23:16 +0200 Subject: [PATCH] fix wrong iteration over dict --- psiflow/hamiltonians.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/psiflow/hamiltonians.py b/psiflow/hamiltonians.py index 97313ca..5e978df 100644 --- a/psiflow/hamiltonians.py +++ b/psiflow/hamiltonians.py @@ -398,7 +398,7 @@ def __eq__(self, hamiltonian) -> bool: return False if len(self.atomic_energies) != len(hamiltonian.atomic_energies): return False - for symbol, energy in self.atomic_energies: + for symbol, energy in self.atomic_energies.items(): if not np.allclose( energy, hamiltonian.atomic_energies[symbol],