From e6ac3dfa18ea76ed8b5f1fcb9e7715c2d64b2e14 Mon Sep 17 00:00:00 2001
From: Thorben Frank <thorbenjan.frank@gmail.com>
Date: Wed, 9 Oct 2024 09:39:13 +0200
Subject: [PATCH] set T_init to T_nvt when not given in nvt example

---
 examples/nvt_jaxmd.ipynb | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/examples/nvt_jaxmd.ipynb b/examples/nvt_jaxmd.ipynb
index 461058a..fede587 100644
--- a/examples/nvt_jaxmd.ipynb
+++ b/examples/nvt_jaxmd.ipynb
@@ -356,7 +356,7 @@
     "\n",
     "# Set the temprature at initialization\n",
     "if T_init is None:\n",
-    "    T_init = float(T_nvt / nvt_cycles) \n",
+    "    T_init = T_nvt \n",
     "else:\n",
     "    T_init = T_init\n",
     "\n",