--- trunk/OOPSE/libmdtools/Thermo.cpp	2003/04/04 01:57:11	454
+++ trunk/OOPSE/libmdtools/Thermo.cpp	2003/04/04 19:47:19	458
@@ -125,45 +125,12 @@ int Thermo::getNDF(){
   return total;
 }
 
-int Thermo::getNDF(){
-  int ndf_local, ndf;
-  
-  ndf_local = 3 * entry_plug->n_atoms + 3 * entry_plug->n_oriented
-    - entry_plug->n_constraints;
-
-#ifdef IS_MPI
-  MPI_Allreduce(&ndf_local,&ndf,1,MPI_INT,MPI_SUM, MPI_COMM_WORLD);
-#else
-  ndf = ndf_local;
-#endif
-
-  ndf = ndf - 3;
-
-  return ndf;
-}
-
-int Thermo::getNDFraw() {
-  int ndfRaw_local, ndfRaw;
-
-  // Raw degrees of freedom that we have to set
-  ndfRaw_local = 3 * entry_plug->n_atoms + 3 * entry_plug->n_oriented;
-  
-#ifdef IS_MPI
-  MPI_Allreduce(&ndfRaw_local,&ndfRaw,1,MPI_INT,MPI_SUM, MPI_COMM_WORLD);
-#else
-  ndfRaw = ndfRaw_local;
-#endif
-
-  return ndfRaw;
-}
-
-
 double Thermo::getTemperature(){
 
   const double kb = 1.9872179E-3; // boltzman's constant in kcal/(mol K)
   double temperature;
   
-  temperature = ( 2.0 * this->getKinetic() ) / ( (double)this->getNDF() * kb );
+  temperature = ( 2.0 * this->getKinetic() ) / ((double)entry_plug->ndf * kb );
   return temperature;
 }
 
@@ -186,8 +153,6 @@ void Thermo::velocitize() {
   const double kb = 8.31451e-7; // kb in amu, angstroms, fs, etc.
   double av2;
   double kebar;
-  int ndf, ndf_local; // number of degrees of freedom
-  int ndfRaw, ndfRaw_local; // the raw number of degrees of freedom
   int n_atoms;
   Atom** atoms;
   DirectionalAtom* dAtom;
@@ -201,8 +166,8 @@ void Thermo::velocitize() {
   n_oriented    = entry_plug->n_oriented;
   n_constraints = entry_plug->n_constraints;
   
-  kebar = kb * temperature * (double)this->getNDF() / 
-    ( 2.0 * (double)this->getNDFraw() );
+  kebar = kb * temperature * (double)entry_plug->ndf / 
+    ( 2.0 * (double)entry_plug->ndfRaw );
   
   for(vr = 0; vr < n_atoms; vr++){