From d2699c13a90078c8f9010bcdfc9bcf18b6c5187f Mon Sep 17 00:00:00 2001
From: Giovanni Bussi <giovanni.bussi@gmail.com>
Date: Tue, 5 May 2015 08:20:32 +0200
Subject: [PATCH] Added reference for concurrent metadynamics
---
src/bias/MetaD.cpp | 10 ++++++++++
1 file changed, 10 insertions(+)
diff --git a/src/bias/MetaD.cpp b/src/bias/MetaD.cpp
index 5849dab1b..34c6dd62b 100644
--- a/src/bias/MetaD.cpp
+++ b/src/bias/MetaD.cpp
@@ -21,6 +21,7 @@
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ */
#include "Bias.h"
#include "ActionRegister.h"
+#include "core/ActionSet.h"
#include "tools/Grid.h"
#include "core/PlumedMain.h"
#include "core/Atoms.h"
@@ -665,6 +666,12 @@ isFirstStep(true)
// output periodicities of variables
for(unsigned i=0;i<getNumberOfArguments();++i) hillsOfile_.setupPrintValue( getPntrToArgument(i) );
+ bool concurrent=false;
+
+ const ActionSet&actionSet(plumed.getActionSet());
+ for(ActionSet::const_iterator p=actionSet.begin();p!=actionSet.end();++p) if(dynamic_cast<MetaD*>(*p)){ concurrent=true; break; }
+ if(concurrent) log<<" You are using concurrent metadynamics\n";
+
log<<" Bibliography "<<plumed.cite("Laio and Parrinello, PNAS 99, 12562 (2002)");
if(welltemp_) log<<plumed.cite(
"Barducci, Bussi, and Parrinello, Phys. Rev. Lett. 100, 020603 (2008)");
@@ -676,6 +683,9 @@ isFirstStep(true)
"Baftizadeh, Cossio, Pietrucci, and Laio, Curr. Phys. Chem. 2, 79 (2012)");
if(acceleration) log<<plumed.cite(
"Pratyush and Parrinello, Phys. Rev. Lett. 111, 230602 (2013)");
+ if(concurrent) log<<plumed.cite(
+ "Gil-Ley and Bussi, J. Chem. Theory Comput. 11, 1077 (2015)");
+
log<<"\n";
}
--
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