From ef23049798e10dcba453cabb698d9af32291204d Mon Sep 17 00:00:00 2001
From: Janosh Riebesell <janosh.riebesell@gmail.com>
Date: Mon, 11 Dec 2023 12:00:17 -0800
Subject: [PATCH] revert BondEncoder neighbor calc

---
 chgnet/model/encoders.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/chgnet/model/encoders.py b/chgnet/model/encoders.py
index e2675879..d2eb4059 100644
--- a/chgnet/model/encoders.py
+++ b/chgnet/model/encoders.py
@@ -94,7 +94,7 @@ def forward(
             bond_vectors (Tensor): normalized bond vectors, for tracking the bond
                 directions [n_bond, 3]
         """
-        neighbor += image @ lattice
+        neighbor = neighbor + image @ lattice
         bond_vectors = center - neighbor
         bond_lengths = torch.norm(bond_vectors, dim=1)
         # Normalize the bond vectors