From f67139dcfae8b450b5220ba8f5f8eac4afff54c0 Mon Sep 17 00:00:00 2001
From: Giovanni Bussi <giovanni.bussi@gmail.com>
Date: Thu, 14 Jul 2011 07:03:14 +0200
Subject: [PATCH] Temporary fix to allow atom requests to be update in
"prepare()"
Nasty bug there. Actual requests of lists of atoms were forwarded to Atoms
object *during* dependence preparation, so that any change made immediately
after that was not taken into account. I temporarily solved this by
re-preparing dependencies again after calls to prepare(), but probably the
workflow has to be adjusted to be more robust.
---
src/PlumedMain.cpp | 18 +++++++++++++++++-
1 file changed, 17 insertions(+), 1 deletion(-)
diff --git a/src/PlumedMain.cpp b/src/PlumedMain.cpp
index 30c5e6835..365d5f8ab 100644
--- a/src/PlumedMain.cpp
+++ b/src/PlumedMain.cpp
@@ -392,7 +392,23 @@ void PlumedMain::prepareDependencies(){
// allow actions to update their request list before atoms are shared
for(ActionSet::iterator p=actionSet.begin();p!=actionSet.end();p++)
if((*p)->isActive()) (*p)->prepare();
- }
+
+/*
+Temporary fix to allow atom requests to be update in "prepare()"
+
+Nasty bug there. Actual requests of lists of atoms were forwarded to Atoms
+object *during* dependence preparation, so that any change made immediately
+after that was not taken into account. I temporarily solved this by
+re-preparing dependencies again after calls to prepare(), but probably the
+workflow has to be adjusted to be more robust.
+*/
+ for(unsigned i=0;i<pilots.size();++i){
+ if(pilots[i]->onStep()){
+ pilots[i]->activate();
+ active=true;
+ }
+ };
+}
void PlumedMain::shareData(){
if(active)atoms.share();
--
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