From 0af033ec6b10fbabb7eb25344dd34176a368c37d Mon Sep 17 00:00:00 2001
From: jrudz <rudzinski@mpip-mainz.mpg.de>
Date: Fri, 10 Mar 2023 11:28:16 +0100
Subject: [PATCH] added effective mass to metainfo for nose-hoover
---
nomad/datamodel/metainfo/simulation/workflow.py | 3 ---
1 file changed, 3 deletions(-)
diff --git a/nomad/datamodel/metainfo/simulation/workflow.py b/nomad/datamodel/metainfo/simulation/workflow.py
index f3a6674590..928e30ba11 100644
--- a/nomad/datamodel/metainfo/simulation/workflow.py
+++ b/nomad/datamodel/metainfo/simulation/workflow.py
@@ -870,9 +870,6 @@ class GeometryOptimization(SerialSimulation):
self.results.final_force_maximum = max_force * forces.units
if not self.results.final_displacement_maximum:
- if not self._systems:
- return
-
def get_atoms(index):
system = self._systems[index]
atoms = Atoms(
--
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