--- trunk/mdtools/md_code/Symplectic.cpp	2002/07/09 21:46:32	25
+++ trunk/mdtools/md_code/Symplectic.cpp	2003/01/17 21:53:36	238
@@ -4,8 +4,9 @@
 #include "Integrator.hpp"
 #include "Thermo.hpp"
 #include "ReadWrite.hpp"
+#include "ForceField.hpp"
+#include "simError.h"
 
-
 extern "C"{
   
   void v_constrain_a_( double &dt, int &n_atoms, double* mass, 
@@ -34,7 +35,6 @@ Symplectic::Symplectic( SimInfo* the_entry_plug ){
   isFirst = 1;
 
   srInteractions = entry_plug->sr_interactions;
-  longRange      =       entry_plug->longRange;
   nSRI           =           entry_plug->n_SRI;
 
   // give a little love back to the SimInfo object
@@ -120,7 +120,7 @@ void Symplectic::integrate( void ){
   double dt2;                       // half the dt
 
   double vx, vy, vz;    // the velocities
-  double vx2, vy2, vz2; // the square of the velocities
+//  double vx2, vy2, vz2; // the square of the velocities
   double rx, ry, rz;    // the postitions
   
   double ji[3];   // the body frame angular momentum
@@ -141,19 +141,21 @@ void Symplectic::integrate( void ){
   int sample_n = (int)( sampleTime / dt );
   int status_n = (int)( statusTime / dt );
   int vel_n    = (int)( thermalTime / dt );
+
+  ForceFields *ff = entry_plug->
 
   Thermo *tStats = new Thermo( entry_plug );
 
   StatWriter*  e_out    = new StatWriter( entry_plug );
   DumpWriter*  dump_out = new DumpWriter( entry_plug );
 
-
   Atom** atoms = entry_plug->atoms;
   DirectionalAtom* dAtom;
   dt2 = 0.5 * dt;
 
   // initialize the forces the before the first step
 
+  
   
   for(i = 0; i < nAtoms; i++){
     atoms[i]->zeroForces();
@@ -492,9 +494,9 @@ void Symplectic::integrate( void ){
 	atoms[i]->set_vy( vy );
 	atoms[i]->set_vz( vz );
 	
-	vx2 = vx * vx;
-	vy2 = vy * vy;
-	vz2 = vz * vz;
+// 	vx2 = vx * vx;
+// 	vy2 = vy * vy;
+// 	vz2 = vz * vz;
 	
 	if( atoms[i]->isDirectional() ){