From 34cee550caf974bb5a7192473a67544754bc1eec Mon Sep 17 00:00:00 2001
From: Giovanni Bussi <giovanni.bussi@gmail.com>
Date: Thu, 18 Oct 2012 18:55:26 +0200
Subject: [PATCH] Fix for multiple time step to work properly
---
src/PlumedMain.cpp | 3 ++-
1 file changed, 2 insertions(+), 1 deletion(-)
diff --git a/src/PlumedMain.cpp b/src/PlumedMain.cpp
index ad8ca22f7..cf599795c 100644
--- a/src/PlumedMain.cpp
+++ b/src/PlumedMain.cpp
@@ -488,7 +488,7 @@ void PlumedMain::waitData(){
void PlumedMain::justCalculate(){
-
+ if(!active)return;
stopwatch.start("4 Calculating (forward loop)");
bias=0.0;
@@ -519,6 +519,7 @@ void PlumedMain::justCalculate(){
void PlumedMain::justApply(){
+ if(!active)return;
stopwatch.start("5 Applying (backward loop)");
// apply them in reverse order
for(ActionSet::reverse_iterator p=actionSet.rbegin();p!=actionSet.rend();++p){
--
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