From 93cb39db912e14e8f119f0e68fa96a83dd1743fc Mon Sep 17 00:00:00 2001
From: =?UTF-8?q?Moritz=20R=2E=20Sch=C3=A4fer?=
 <schaefer@theochem.uni-stuttgart.de>
Date: Mon, 8 Jan 2024 22:03:51 +0100
Subject: [PATCH] applied fix to jaxMD

---
 apax/md/nvt.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/apax/md/nvt.py b/apax/md/nvt.py
index a98561dc..3c07dfe6 100644
--- a/apax/md/nvt.py
+++ b/apax/md/nvt.py
@@ -271,7 +271,7 @@ def body_fn(i, state):
                     )
                 ckpt = {"state": state, "step": step}
                 checkpoints.save_checkpoint(
-                    ckpt_dir=ckpt_dir,
+                    ckpt_dir=ckpt_dir.resolve(),
                     target=ckpt,
                     step=step,
                     overwrite=True,