From 975d7225ca2901ded39fcbc22e85320f62b952cd Mon Sep 17 00:00:00 2001
From: Alexandra McIsaac <armcisaac@gmail.com>
Date: Tue, 9 Apr 2024 11:21:48 -0700
Subject: [PATCH] Changed cached_result to be compatible with new QCPortal
 OptimizationRecord definition

---
 yammbs/cached_result.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/yammbs/cached_result.py b/yammbs/cached_result.py
index cbc3bba..74f6162 100644
--- a/yammbs/cached_result.py
+++ b/yammbs/cached_result.py
@@ -53,7 +53,7 @@ def from_qcsubmit_collection(
             collection.to_records(),
             desc="Converting records to molecules",
         ):
-            energy = qcarchive_record.get_final_energy() * hartree2kcalmol
+            energy = qcarchive_record.energies[-1] * hartree2kcalmol
             ret.inner.append(
                 CachedResult(
                     mapped_smiles=molecule.to_smiles(