--- trunk/OOPSE/libmdtools/NPTf.cpp	2003/11/06 22:01:37	855
+++ trunk/OOPSE/libmdtools/NPTf.cpp	2003/11/07 17:09:48	857
@@ -1,4 +1,5 @@
 #include <math.h>
+
 #include "Atom.hpp"
 #include "SRI.hpp"
 #include "AbstractClasses.hpp"
@@ -116,9 +117,8 @@ template<typename T> void NPTf<T>::getVelScaleA(double
   }
 }
 
-template<typename T> void NPTf<T>::getVelScaleA(double sc[3], double vel[3]) {
+template<typename T> void NPTf<T>::calcVelScale(void){
   int i,j;
-  double vScale[3][3];
 
   for (i = 0; i < 3; i++ ) {
     for (j = 0; j < 3; j++ ) {
@@ -129,25 +129,18 @@ template<typename T> void NPTf<T>::getVelScaleA(double
       }
     }
   }
+}
 
+template<typename T> void NPTf<T>::getVelScaleA(double sc[3], double vel[3]) {
+ 
   info->matVecMul3( vScale, vel, sc );
 }
 
 template<typename T> void NPTf<T>::getVelScaleB(double sc[3], int index ){
-  int i,j;
+  int j;
   double myVel[3];
   double vScale[3][3];
 
-  for (i = 0; i < 3; i++ ) {
-    for (j = 0; j < 3; j++ ) {
-      vScale[i][j] = eta[i][j];
-
-      if (i == j) {
-        vScale[i][j] += chi;
-      }
-    }
-  }
-
   for (j = 0; j < 3; j++)
     myVel[j] = oldVel[3*index + j];