--- trunk/src/brains/SimInfo.cpp	2005/09/15 00:14:35	598
+++ trunk/src/brains/SimInfo.cpp	2005/09/26 15:58:17	629
@@ -53,8 +53,9 @@
 #include "math/Vector3.hpp"
 #include "primitives/Molecule.hpp"
 #include "UseTheForce/fCutoffPolicy.h"
-#include "UseTheForce/fCoulombicCorrection.h"
+#include "UseTheForce/DarkSide/fElectrostaticSummationMethod.h"
 #include "UseTheForce/doForces_interface.h"
+#include "UseTheForce/DarkSide/electrostatic_interface.h"
 #include "UseTheForce/notifyCutoffs_interface.h"
 #include "utils/MemoryUtils.hpp"
 #include "utils/simError.h"
@@ -465,7 +466,7 @@ namespace oopse {
     /** @deprecate */    
     int isError = 0;
     
-    setupCoulombicCorrection( isError );
+    setupElectrostaticSummationMethod( isError );
 
     if(isError){
       sprintf( painCave.errMsg,
@@ -522,7 +523,14 @@ namespace oopse {
     int useElectrostatics = 0;
     //usePBC and useRF are from simParams
     int usePBC = simParams_->getPBC();
-    int useRF = simParams_->getUseRF();
+    int useRF;
+
+    // set the useRF logical
+    std::string myMethod = simParams_->getElectrostaticSummationMethod();
+    if (myMethod == "REACTION_FIELD")
+      useRF = 1;
+    else
+      useRF = 0;
 
     //loop over all of the atom types
     for (i = atomTypes.begin(); i != atomTypes.end(); ++i) {
@@ -588,12 +596,6 @@ namespace oopse {
     temp = useRF;
     MPI_Allreduce(&temp, &useRF, 1, MPI_INT, MPI_LOR, MPI_COMM_WORLD);    
 
-    temp = useUW;
-    MPI_Allreduce(&temp, &useUW, 1, MPI_INT, MPI_LOR, MPI_COMM_WORLD);   
-
-    temp = useDW;
-    MPI_Allreduce(&temp, &useDW, 1, MPI_INT, MPI_LOR, MPI_COMM_WORLD);   
-    
 #endif
 
     fInfo_.SIM_uses_PBC = usePBC;    
@@ -610,7 +612,7 @@ namespace oopse {
     fInfo_.SIM_uses_FLARB = useFLARB;
     fInfo_.SIM_uses_RF = useRF;
 
-    if( fInfo_.SIM_uses_Dipoles && fInfo_.SIM_uses_RF) {
+    if( fInfo_.SIM_uses_Dipoles && myMethod == "REACTION_FIELD") {
 
       if (simParams_->haveDielectric()) {
 	fInfo_.dielect = simParams_->getDielectric();
@@ -866,43 +868,53 @@ namespace oopse {
           }     
         }           
       }
+    }
+
+
+    if (simParams_->haveSkinThickness()) {
+      double skinThickness = simParams_->getSkinThickness();
     }
+
     notifyFortranCutoffs(&rcut_, &rsw_, &rnblist, &cp);
+    // also send cutoff notification to electrostatics
+    setElectrostaticCutoffRadius(&rcut_);
   }
 
-  void SimInfo::setupCoulombicCorrection( int isError ) {    
+  void SimInfo::setupElectrostaticSummationMethod( int isError ) {    
      
     int errorOut;
-    int cc =  NONE;
+    int esm =  NONE;
     double alphaVal;
+    double dielectric;
 
     errorOut = isError;
+    alphaVal = simParams_->getDampingAlpha();
+    dielectric = simParams_->getDielectric();
 
-    if (simParams_->haveCoulombicCorrection()) {
-      std::string myCorrection = simParams_->getCoulombicCorrection();
-      if (myCorrection == "NONE") {
-        cc = NONE;
+    if (simParams_->haveElectrostaticSummationMethod()) {
+      std::string myMethod = simParams_->getElectrostaticSummationMethod();
+      if (myMethod == "NONE") {
+        esm = NONE;
       } else {
-        if (myCorrection == "UNDAMPED_WOLF") {
-          cc = UNDAMPED_WOLF;
+        if (myMethod == "UNDAMPED_WOLF") {
+          esm = UNDAMPED_WOLF;
         } else {
-          if (myCorrection == "WOLF") {            
-            cc = WOLF;
+          if (myMethod == "DAMPED_WOLF") {            
+            esm = DAMPED_WOLF;
 	    if (!simParams_->haveDampingAlpha()) {
 	      //throw error
 	      sprintf( painCave.errMsg,
-		       "SimInfo warning: dampingAlpha was not specified in the input file. A default value of %f (1/ang) will be used for the Wolf Coulombic Correction.", simParams_->getDampingAlpha());
+		       "SimInfo warning: dampingAlpha was not specified in the input file. A default value of %f (1/ang) will be used for the Damped Wolf Method.", alphaVal);
 	      painCave.isFatal = 0;
 	      simError();
 	    }
-	    alphaVal = simParams_->getDampingAlpha();
           } else {
-	    if (myCorrection == "REACTION_FIELD") {
-	      cc = REACTION_FIELD;
+	    if (myMethod == "REACTION_FIELD") {
+	      esm = REACTION_FIELD;
 	    } else {
 	      // throw error        
 	      sprintf( painCave.errMsg,
-		       "SimInfo error: Unknown coulombicCorrection. (Input file specified %s .)\n\tcoulombicCorrection must be one of: \"none\", \"undamped_wolf\", \"wolf\", or \"reaction_field\".", myCorrection.c_str() );
+		       "SimInfo error: Unknown electrostaticSummationMethod. (Input file specified %s .)\n\telectrostaticSummationMethod must be one of: \"none\", \"undamped_wolf\", \"damped_wolf\", or \"reaction_field\".", myMethod.c_str() );
 	      painCave.isFatal = 1;
 	      simError();
 	    }     
@@ -910,7 +922,11 @@ namespace oopse {
 	}
       }
     }
-    initFortranFF( &fInfo_.SIM_uses_RF, &cc, &alphaVal, &errorOut );
+    // let's pass some summation method variables to fortran
+    setElectrostaticSummationMethod( &esm );
+    setDampedWolfAlpha( &alphaVal );
+    setReactionFieldDielectric( &dielectric );
+    initFortranFF( &esm, &errorOut );
   }
 
   void SimInfo::addProperty(GenericData* genData) {