--- trunk/OOPSE/libmdtools/OOPSEMinimizerBase.cpp	2004/02/03 20:47:10	1011
+++ trunk/OOPSE/libmdtools/OOPSEMinimizerBase.cpp	2004/02/06 18:58:06	1031
@@ -3,10 +3,13 @@ OOPSEMinimizerBase::OOPSEMinimizerBase(SimInfo* theInf
 OOPSEMinimizerBase::OOPSEMinimizerBase(SimInfo* theInfo, ForceFields* the_ff)
                            : RealIntegrator( theInfo, the_ff ){
   tStats = new Thermo(info);
+  dumpOut = new DumpWriter(info);
+  calcDim();
 }
 
 OOPSEMinimizerBase::~OOPSEMinimizerBase(){
   delete tStats;
+  delete dumpOut;
 }
 
 /**
\ No newline at end of file
@@ -95,13 +98,15 @@ void OOPSEMinimizerBase::getOptCoor(vector<double>& x)
 /**
  *
  */
-void OOPSEMinimizerBase::getOptCoor(vector<double>& x){
+vector<double> OOPSEMinimizerBase::getOptCoor(){
   Atom** atoms;  
   DirectionalAtom* dAtom;
   int index;
   double position[3];
   double eulerAngle[3];
+  vector<double> x;
 
+  x.resize(getDim());
   atoms = this->atoms;
   index = 0;
   
\ No newline at end of file
@@ -124,6 +129,28 @@ void OOPSEMinimizerBase::getOptCoor(vector<double>& x)
     
   }
 
+  return x;
+
 }
          
+void OOPSEMinimizerBase::calcDim(){
+  Atom** atoms;  
+  DirectionalAtom* dAtom;
+  int dim;
 
+  dim = 0;
+
+  atoms = this->atoms;
+  
+  for(int i = 0; i < nAtoms; i++){
+    dim += 3;
+    if (atoms[i]->isDirectional())
+      dim += 3;      
+  }
+
+}
+
+void OOPSEMinimizerBase::output(vector<double>& x, int iteration){
+  setOptCoor(x);
+  dumpOut->writeDump(iteration);
+}
\ No newline at end of file