From 20ec8c96dbbe01681e974bc9840e7f023c67f679 Mon Sep 17 00:00:00 2001
From: Janosh Riebesell <janosh.riebesell@gmail.com>
Date: Thu, 7 Dec 2023 12:59:42 -0800
Subject: [PATCH] fix expected bulk modulus in test_md_npt_nose_hoover

---
 tests/test_md.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/tests/test_md.py b/tests/test_md.py
index f530176a..74cd4743 100644
--- a/tests/test_md.py
+++ b/tests/test_md.py
@@ -252,7 +252,7 @@ def test_md_npt_nose_hoover(tmp_path: Path, monkeypatch: MonkeyPatch):
     assert isinstance(md.atoms, Atoms)
     assert isinstance(md.atoms.calc, CHGNetCalculator)
     assert isinstance(md.dyn, NPT)
-    assert md.bulk_modulus == approx(88.6389, rel=1e-2)
+    assert md.bulk_modulus == approx(91.14753, rel=1e-2)
     assert_allclose(
         md.dyn.externalstress,
         [-6.324e-07, -6.324e-07, -6.324e-07, 0.0, 0.0, 0.0],