From 2f891cfe3acea8c6a431bc12f7dffb76a74d6e96 Mon Sep 17 00:00:00 2001
From: Chuck Witt <witt.chuck@gmail.com>
Date: Wed, 19 Apr 2023 18:15:31 +0100
Subject: [PATCH] hopefully limit unnecessary memory use.

---
 mace/calculators/lammps_mace.py | 2 ++
 1 file changed, 2 insertions(+)

diff --git a/mace/calculators/lammps_mace.py b/mace/calculators/lammps_mace.py
index 16a79955..e771dffe 100644
--- a/mace/calculators/lammps_mace.py
+++ b/mace/calculators/lammps_mace.py
@@ -15,6 +15,8 @@ def __init__(self, model):
         self.register_buffer("atomic_numbers", model.atomic_numbers)
         self.register_buffer("r_max", model.r_max)
         self.register_buffer("num_interactions", model.num_interactions)
+        for param in self.model.parameters():
+            param.requires_grad = False
 
     def forward(
         self,