From 6a7c6e4240ae12abc330ae46c9cfee70d4a577c3 Mon Sep 17 00:00:00 2001
From: Giovanni Bussi <giovanni.bussi@gmail.com>
Date: Tue, 15 Oct 2013 14:30:44 +0200
Subject: [PATCH] Now crashes when setting COM or CENTER with zero atoms
---
src/vatom/COM.cpp | 1 +
src/vatom/Center.cpp | 1 +
2 files changed, 2 insertions(+)
diff --git a/src/vatom/COM.cpp b/src/vatom/COM.cpp
index ffbd280d9..50c960a9f 100644
--- a/src/vatom/COM.cpp
+++ b/src/vatom/COM.cpp
@@ -76,6 +76,7 @@ COM::COM(const ActionOptions&ao):
{
vector<AtomNumber> atoms;
parseAtomList("ATOMS",atoms);
+ if(atoms.size()==0) error("at least one atom should be specified");
checkRead();
log.printf(" of atoms");
for(unsigned i=0;i<atoms.size();++i) log.printf(" %d",atoms[i].serial());
diff --git a/src/vatom/Center.cpp b/src/vatom/Center.cpp
index 3a399f193..6fd0558c8 100644
--- a/src/vatom/Center.cpp
+++ b/src/vatom/Center.cpp
@@ -88,6 +88,7 @@ Center::Center(const ActionOptions&ao):
{
vector<AtomNumber> atoms;
parseAtomList("ATOMS",atoms);
+ if(atoms.size()==0) error("at least one atom should be specified");
parseVector("WEIGHTS",weights);
parseFlag("MASS",weight_mass);
checkRead();
--
GitLab