From b9eb651fffe70bc90a70ccbfd599b4bc08dcc481 Mon Sep 17 00:00:00 2001
From: orioncohen <orion@lbl.gov>
Date: Thu, 11 Apr 2024 13:56:49 -0700
Subject: [PATCH] In MoleculeSpec replace formal_charge with charge_scaling

---
 emmet-core/emmet/core/classical_md/tasks.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/emmet-core/emmet/core/classical_md/tasks.py b/emmet-core/emmet/core/classical_md/tasks.py
index 9a05a4c7cc..48056d8724 100644
--- a/emmet-core/emmet/core/classical_md/tasks.py
+++ b/emmet-core/emmet/core/classical_md/tasks.py
@@ -50,7 +50,7 @@ class MoleculeSpec(MSONable):
 
     name: str
     count: int
-    formal_charge: int
+    charge_scaling: float
     charge_method: str
     openff_mol: str  # a tk.Molecule object serialized with to_json