From 65c86706addb32533cc89545737c9092d6c1b8c7 Mon Sep 17 00:00:00 2001
From: Michele Ceriotti <michele.ceriotti@gmail.com>
Date: Mon, 21 Oct 2024 19:58:58 +0200
Subject: [PATCH] Clean up before exiting plumed

---
 ipi/engine/forcefields.py | 6 ++++++
 1 file changed, 6 insertions(+)

diff --git a/ipi/engine/forcefields.py b/ipi/engine/forcefields.py
index 827d92b6a..0b994d1b4 100644
--- a/ipi/engine/forcefields.py
+++ b/ipi/engine/forcefields.py
@@ -741,6 +741,12 @@ def __init__(
         self.masses = dstrip(myatoms.m)
         self.lastq = np.zeros(3 * self.natoms)
         self.system_force = None  # reference to physical force calculator
+        softexit.register_function(self.softexit)
+
+    def softexit(self):
+        """Takes care of cleaning up upon softexit"""
+
+        self.plumed.finalize()
 
     def evaluate(self, r):
         """A wrapper function to call the PLUMED evaluation routines