Small optimizations

Relevant when using a huge number of restraints

src/bias/Restraint.cpp

@@ -62,6 +62,8 @@ class Restraint : public Bias{
   std::vector<double> at;
   std::vector<double> kappa;
   std::vector<double> slope;
+  Value* valueBias;
+  Value* valueForce2;
 public:
   Restraint(const ActionOptions&);
   void calculate();
@@ -101,6 +103,8 @@ slope(getNumberOfArguments(),0.0)
 
   addComponent("bias"); componentIsNotPeriodic("bias");
   addComponent("force2"); componentIsNotPeriodic("force2");
+  valueBias=getPntrToComponent("bias");
+  valueForce2=getPntrToComponent("force2");
 }
 
 
@@ -116,8 +120,8 @@ void Restraint::calculate(){
     setOutputForce(i,f);
     totf2+=f*f;
   };
-  getPntrToComponent("bias")->set(ene);
-  getPntrToComponent("force2")->set(totf2);
+  valueBias->set(ene);
+  valueForce2->set(totf2);
 }
 
 }

src/core/ActionWithValue.h

@@ -169,10 +169,8 @@ double ActionWithValue::getOutputQuantity(const unsigned j) const {
 inline
 double ActionWithValue::getOutputQuantity( const std::string& name ) const {
   std::string thename; thename=getLabel() + "." + name;
-  if( exists(thename) ){
-      for(unsigned i=0;i<values.size();++i){
-         if( values[i]->name==thename ) return values[i]->value;
-      }
+  for(unsigned i=0;i<values.size();++i){
+    if( values[i]->name==thename ) return values[i]->value;
   }
   return 0.0;
 }