--- trunk/OOPSE/staticProps/AllCorr.cpp	2003/10/10 17:10:22	803
+++ trunk/OOPSE/staticProps/AllCorr.cpp	2003/10/17 21:19:07	810
@@ -1,6 +1,8 @@
 #include <stdlib.h>
+#include <math.h>
 #include <vector>
 
+#include "simError.h"
 #include "AllCorr.hpp"
 
 
@@ -28,7 +30,7 @@ void AllCorr::setNbins( double theNbins ){
   haveLength = true;
 }
 
-void AllCorr::setNbins( double theNbins ){
+void AllCorr::setNbins( int theNbins ){
   nBins = theNbins;
   haveNbins = true;
 }
@@ -88,8 +90,6 @@ void AllCorr::setPairCorrList( vector <PairCorrList> &
   }
 
 
-  theList.sort();
-  
   nPairs = (int)theList.size();
   pairCorrs = new PairCorrType*[nPairs];
   
@@ -123,7 +123,7 @@ void AllCorr::initCorrelations( char* theOutPrefix, bo
 				bool theHavePairCorrs,
 				bool theHaveStaticCorrs ){
   int i;
-  atomName* theNames = new atomNames[nAtoms];
+  atomName* theNames = new atomName[nAtoms];
   
   havePairCorrs = theHavePairCorrs;
   haveStaticCorrs = theHaveStaticCorrs;
@@ -144,7 +144,7 @@ void AllCorr::initCorrelations( char* theOutPrefix, bo
     }
     
     for(i=0;i<nPairs;i++){
-      pairCorrs[i]->initCoor(maxLength, theNames );
+      pairCorrs[i]->initCorr(maxLength, theNames );
     }
   }
   
@@ -160,7 +160,7 @@ void AllCorr::calcCorrelations(){
 
 void AllCorr::calcCorrelations(){
 
-  SimInfor* currInfo;
+  SimInfo* currInfo;
   int i,j,k,l;
   double rij[3], rDist, uHatI[3], uHatJ[3];
   double* grndOut = NULL;
@@ -205,28 +205,28 @@ void AllCorr::calcCorrelations(){
 	      // calc rdist and rij;
 	      
 	      currInfo->atoms[i]->getPos( ri );
-	      currInfo->wrapVector( ri );
+	      	      
+	      currInfo->atoms[j]->getPos( rj );
 	      
-	      currInfo->atoms[i]->getPos( rj );
-	      currInfo->wrapVector( rj );	      
-
 	      for(l=0;l<3;l++)
 		rij[l] = rj[l] - ri[l];
-	      
+
+	      currInfo->wrapVector( rij );
+
 	      dSqr=0;
 	      for(l=0;l<3;l++)
-		dSqr += rj[l] * rj[l];
+		dSqr += rij[l] * rij[l];
 	      
 	      rDist = sqrt( dSqr );
 	      
 	      if( currInfo->atoms[i]->isDirectional() ){
 		
-		dAtom = (directionalAtom*)currInfo->atoms[i];
+		dAtom = (DirectionalAtom*)currInfo->atoms[i];
 		dAtom->getU( uHatI );
 		
 		if( currInfo->atoms[j]->isDirectional() ){
 		  
-		  dAtom = (directionalAtom*)currInfo->atoms[j];
+		  dAtom = (DirectionalAtom*)currInfo->atoms[j];
 		  dAtom->getU( uHatJ );
 		  
 		  this->pairCorrelate( rij, rDist, uHatI, uHatJ );
@@ -238,7 +238,7 @@ void AllCorr::calcCorrelations(){
 	      }
 	      else if( currInfo->atoms[j]->isDirectional() ){
 		
-		dAtom = (directionalAtom*)currInfo->atoms[j];
+		dAtom = (DirectionalAtom*)currInfo->atoms[j];
 		dAtom->getU( uHatJ );
 		
 		this->pairCorrelate( rij, rDist, grndOut, uHatJ );
@@ -296,13 +296,13 @@ void AllCorr::pairCorrelate( double[3] Rij, double dis
   return result;  
 }
 
-void AllCorr::pairCorrelate( double[3] Rij, double dist, 
-			     double[3] uHatI, double[3] uHatJ ){
+void AllCorr::pairCorrelate( double Rij[3], double dist, 
+			     double uHatI[3], double uHatJ[3] ){
   
   int i;
   
   for(i=0;i<nPairs;i++)
-    pairCorrs[i]->correlate( Rij, dist, uHatI, uHatj );
+    pairCorrs[i]->correlate( Rij, dist, uHatI, uHatJ );
 }
 
 void AllCorr::setFrameVolume( double theVolume ){
@@ -327,7 +327,7 @@ void AllCorr::accumulateFrame( void ){
   
   if( havePairCorrs ){
     
-    for(i=0;i<nPair;i++)
+    for(i=0;i<nPairs;i++)
       pairCorrs[i]->accumulateFrame();
   }
 
@@ -345,7 +345,7 @@ void AllCorr::writeCorrs( void ){
     if( havePairCorrs ){
 
       for(i=0;i<nPairs;i++)
-	pairCorrs[i]->writeCorrs( outPrefix );
+	pairCorrs[i]->writeCorr( outPrefix );
     }
 
     if( haveStaticCorrs ){