From 21af1cf1ebb5be1a9ff1a3ef62c318eb9f98d2f3 Mon Sep 17 00:00:00 2001
From: Gareth Tribello <gareth.tribello@gmail.com>
Date: Sat, 24 Aug 2019 21:27:34 +0100
Subject: [PATCH] Fixed bug in trying to use PCAVARS with just arguments
---
src/mapping/PCAVars.cpp | 2 +-
1 file changed, 1 insertion(+), 1 deletion(-)
diff --git a/src/mapping/PCAVars.cpp b/src/mapping/PCAVars.cpp
index d0a0ad777..5e6924684 100644
--- a/src/mapping/PCAVars.cpp
+++ b/src/mapping/PCAVars.cpp
@@ -354,7 +354,7 @@ void PCAVars::unlockRequests() {
void PCAVars::calculate() {
- if(!nopbc) makeWhole();
+ if(!nopbc && getNumberOfAtoms()>0) makeWhole();
// Clear the reference value pack
mypack.clear();
--
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