From 228311fc94fa50e084da0bb415816fc76af066a2 Mon Sep 17 00:00:00 2001 From: Kaihang Shi <38356313+KaihangShi@users.noreply.github.com> Date: Fri, 19 Jul 2024 19:21:30 -0700 Subject: [PATCH] Update simulation.input Added "DNNPseudoAtoms Ar" to the "simulation.input" file to avoid Segmentation fault error. --- Examples/Ar_MgMOF74_Allegro/simulation.input | 1 + 1 file changed, 1 insertion(+) diff --git a/Examples/Ar_MgMOF74_Allegro/simulation.input b/Examples/Ar_MgMOF74_Allegro/simulation.input index ae87a98..6dead36 100644 --- a/Examples/Ar_MgMOF74_Allegro/simulation.input +++ b/Examples/Ar_MgMOF74_Allegro/simulation.input @@ -49,4 +49,5 @@ Component 0 MoleculeName argon TranslationProbability 1.0 ReinsertionProbability 1.0 SwapProbability 1.0 + DNNPseudoAtoms Ar CreateNumberOfMolecules 0