From 3a6337b2e1c4f4755a0fa96df56fbda5436aa412 Mon Sep 17 00:00:00 2001
From: Carlo Camilloni <carlo@vpnclient35.ch.cam.ac.uk>
Date: Tue, 4 Mar 2014 10:06:05 +0100
Subject: [PATCH] CENTER: default weitghts
now set to 1.
Close #86
---
src/vatom/Center.cpp | 4 ++++
1 file changed, 4 insertions(+)
diff --git a/src/vatom/Center.cpp b/src/vatom/Center.cpp
index 6fd0558c8..c3d9957f4 100644
--- a/src/vatom/Center.cpp
+++ b/src/vatom/Center.cpp
@@ -90,6 +90,10 @@ Center::Center(const ActionOptions&ao):
parseAtomList("ATOMS",atoms);
if(atoms.size()==0) error("at least one atom should be specified");
parseVector("WEIGHTS",weights);
+ if( weights.size()==0) {
+ weights.resize( atoms.size() );
+ for(unsigned i=0;i<atoms.size();i++) weights[i] = 1.;
+ }
parseFlag("MASS",weight_mass);
checkRead();
log.printf(" of atoms");
--
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