From 457892572f91f59946a7d0773e3ff80595264bc7 Mon Sep 17 00:00:00 2001
From: Carlo Camilloni <carlo.camilloni@gmail.com>
Date: Sun, 29 Jan 2017 22:58:46 +0100
Subject: [PATCH] PlumedMain: reordered included headers and removed
duplications
---
src/core/PlumedMain.cpp | 40 +++++++++++++++++++++++-----------------
1 file changed, 23 insertions(+), 17 deletions(-)
diff --git a/src/core/PlumedMain.cpp b/src/core/PlumedMain.cpp
index 535cabe87..d43cae3e9 100644
--- a/src/core/PlumedMain.cpp
+++ b/src/core/PlumedMain.cpp
@@ -19,31 +19,30 @@
You should have received a copy of the GNU Lesser General Public License
along with plumed. If not, see <http://www.gnu.org/licenses/>.
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ */
-#include "PlumedMain.h"
-#include "tools/Tools.h"
-#include "tools/OpenMP.h"
-#include <cstring>
+#include "ActionAtomistic.h"
#include "ActionPilot.h"
+#include "ActionRegister.h"
+#include "ActionSet.h"
#include "ActionWithValue.h"
-#include "ActionAtomistic.h"
#include "ActionWithVirtualAtom.h"
#include "Atoms.h"
-#include <set>
-#include "config/Config.h"
-#include <cstdlib>
-#include "ActionRegister.h"
+#include "CLToolMain.h"
+#include "ExchangePatterns.h"
#include "GREX.h"
+#include "PlumedMain.h"
+#include "config/Config.h"
+#include "tools/Citations.h"
+#include "tools/Communicator.h"
+#include "tools/DLLoader.h"
#include "tools/Exception.h"
-#include "Atoms.h"
-#include "ActionSet.h"
+#include "tools/IFile.h"
#include "tools/Log.h"
-#include "tools/DLLoader.h"
-#include "tools/Communicator.h"
-#include "CLToolMain.h"
+#include "tools/OpenMP.h"
+#include "tools/Tools.h"
#include "tools/Stopwatch.h"
-#include "tools/Citations.h"
-#include "ExchangePatterns.h"
-#include "tools/IFile.h"
+#include <cstdlib>
+#include <cstring>
+#include <set>
using namespace std;
@@ -376,6 +375,13 @@ void PlumedMain::cmd(const std::string & word,void*val){
doCheckPoint = false;
if(*static_cast<int*>(val)!=0) doCheckPoint = true;
break;
+ /* ADDED WITH API==4 */
+ case cmd_EnsembleRestraints:
+ CHECK_INIT(initialized,word);
+ CHECK_NOTNULL(val,word);
+ doCheckPoint = false;
+ if(*static_cast<int*>(val)!=0) doCheckPoint = true;
+ break;
/* STOP API */
case cmd_setMDEngine:
CHECK_NOTINIT(initialized,word);
--
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