From a2f1d795609eb9af56ef13fdae1ea51ec4a9c676 Mon Sep 17 00:00:00 2001
From: Gareth Tribello <gt@eider.phy.qub.ac.uk>
Date: Mon, 7 Dec 2015 09:48:42 +0000
Subject: [PATCH] Fixed ClusterDiameter CV
---
regtest/adjmat/rt-dfg2/size.reference | 2 +-
src/adjmat/ClusterDiameter.cpp | 4 ++--
2 files changed, 3 insertions(+), 3 deletions(-)
diff --git a/regtest/adjmat/rt-dfg2/size.reference b/regtest/adjmat/rt-dfg2/size.reference
index 0ed52ef58..fca3b304b 100644
--- a/regtest/adjmat/rt-dfg2/size.reference
+++ b/regtest/adjmat/rt-dfg2/size.reference
@@ -1,2 +1,2 @@
#! FIELDS time size2a dia2a
- 0.000000 78.0000 2.3294
+ 0.000000 78.0000 1.1541
diff --git a/src/adjmat/ClusterDiameter.cpp b/src/adjmat/ClusterDiameter.cpp
index 6ccae3b47..f6752dd1a 100644
--- a/src/adjmat/ClusterDiameter.cpp
+++ b/src/adjmat/ClusterDiameter.cpp
@@ -69,8 +69,8 @@ ClusterAnalysisBase(ao)
if( clustr>getNumberOfNodes() ) error("cluster selected is invalid - too few atoms in system");
// Create the task list
- for(unsigned i=1;i<getNumberOfNodes();++i){
- for(unsigned j=0;j<i;++j) addTaskToList( i*getNumberOfNodes() + j );
+ for(unsigned i=0;i<getNumberOfNodes();++i){
+ for(unsigned j=0;j<getNumberOfNodes();++j) addTaskToList( i*getNumberOfNodes() + j );
}
// Now create a higest vessel
addVessel("HIGHEST", "", -1); setupAtomLists();
--
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