From 1061879feb3e4bf87ee9a194781e6858cd5db159 Mon Sep 17 00:00:00 2001
From: Kirill Zinovjev <kzinovjev@gmail.com>
Date: Sat, 22 Jun 2024 09:58:24 +0200
Subject: [PATCH] Keep SOAP features as default for now

---
 emle/calculator.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/emle/calculator.py b/emle/calculator.py
index 11c7e49..931068f 100644
--- a/emle/calculator.py
+++ b/emle/calculator.py
@@ -453,7 +453,7 @@ class EMLECalculator:
     def __init__(
         self,
         model=None,
-        emle_features='aev',
+        emle_features='soap',
         method="electrostatic",
         backend="torchani",
         external_backend=None,