--- trunk/OOPSE/libmdtools/NPTi.cpp	2003/07/15 17:10:50	611
+++ trunk/OOPSE/libmdtools/NPTi.cpp	2003/09/04 21:48:35	746
@@ -20,8 +20,8 @@ NPTi::NPTi ( SimInfo *theInfo, ForceFields* the_ff):
 // 
 //    Hoover, W. G., 1986, Phys. Rev. A, 34, 2499.
 
-NPTi::NPTi ( SimInfo *theInfo, ForceFields* the_ff):
-  Integrator( theInfo, the_ff )
+template<typename T> NPTi<T>::NPTi ( SimInfo *theInfo, ForceFields* the_ff):
+  T( theInfo, the_ff )
 {
   chi = 0.0;
   eta = 0.0;
@@ -31,7 +31,7 @@ void NPTi::moveA() {
   have_target_pressure = 0;
 }
 
-void NPTi::moveA() {
+template<typename T> void NPTi<T>::moveA() {
   
   int i, j;
   DirectionalAtom* dAtom;
@@ -76,10 +76,8 @@ void NPTi::moveA() {
     for (j = 0; j < 3; j++) 
       pos[j] += dt * (vel[j] + eta*rj[j]);
 
-
     atoms[i]->setPos( pos );
 
-
     if( atoms[i]->isDirectional() ){
 
       dAtom = (DirectionalAtom *)atoms[i];
@@ -132,7 +130,7 @@ void NPTi::moveA() {
   
   scaleFactor = exp(dt*eta);
 
-  if (scaleFactor > 1.1 || scaleFactor < 0.9) {
+  if ((scaleFactor > 1.1) || (scaleFactor < 0.9)) {
     sprintf( painCave.errMsg,
              "NPTi error: Attempting a Box scaling of more than 10 percent"
              " check your tauBarostat, as it is probably too small!\n"
@@ -143,9 +141,10 @@ void NPTi::moveA() {
   } else {         
     info->scaleBox(exp(dt*eta));      
   }
+
 }
 
-void NPTi::moveB( void ){
+template<typename T> void NPTi<T>::moveB( void ){
 
   int i, j;
   DirectionalAtom* dAtom;
@@ -201,7 +200,16 @@ int NPTi::readyCheck() {
   }
 }
 
-int NPTi::readyCheck() {
+template<typename T> void NPTi<T>::resetIntegrator() {
+  chi = 0.0;
+  eta = 0.0;
+}
+
+template<typename T> int NPTi<T>::readyCheck() {
+
+  //check parent's readyCheck() first
+  if (T::readyCheck() == -1)
+    return -1;
  
   // First check to see if we have a target temperature. 
   // Not having one is fatal.