--- trunk/src/brains/DataStorage.cpp	2013/06/16 15:15:42	1879
+++ trunk/src/brains/DataStorage.cpp	2015/03/05 16:30:23	2069
@@ -55,12 +55,12 @@ namespace OpenMD {
 
   }
 
-  DataStorage::DataStorage(int size, int storageLayout) : size_(size){
+  DataStorage::DataStorage(std::size_t size, int storageLayout) : size_(size){
     setStorageLayout(storageLayout);
     resize(size);
   }
 
-  int DataStorage::getSize() {
+  std::size_t DataStorage::getSize() {
 
     if (storageLayout_ & dslPosition && position.size() != size_) {
       //error
@@ -146,12 +146,17 @@ namespace OpenMD {
       //error
       cerr << "size does not match"<< endl;        
     }
+
+    if (storageLayout_ & dslSitePotential && sitePotential.size() != size_) {
+      //error
+      cerr << "size does not match"<< endl;        
+    }
     
     return size_;
 
   }
 
-  void DataStorage::resize(int newSize) {
+  void DataStorage::resize(std::size_t newSize) {
 
     if (storageLayout_ & dslPosition) {
       internalResize(position, newSize);
@@ -221,10 +226,14 @@ namespace OpenMD {
       internalResize(flucQFrc, newSize);
     }
 
+    if (storageLayout_ & dslSitePotential) {
+      internalResize(sitePotential, newSize);
+    }
+
     size_ = newSize;
   }
 
-  void DataStorage::reserve(int size) {
+  void DataStorage::reserve(std::size_t size) {
     if (storageLayout_ & dslPosition) {
       position.reserve(size);
     } 
@@ -292,9 +301,13 @@ namespace OpenMD {
     if (storageLayout_ & dslFlucQForce) {
       flucQFrc.reserve(size);
     }
+
+    if (storageLayout_ & dslSitePotential) {
+      sitePotential.reserve(size);
+    }
   }
 
-  void DataStorage::copy(int source, int num, int target) {
+  void DataStorage::copy(int source, std::size_t num, std::size_t target) {
     if (num + target > size_ ) {
       //error
     }
@@ -365,6 +378,10 @@ namespace OpenMD {
     if (storageLayout_ & dslFlucQForce) {
       internalCopy(flucQFrc, source, num, target);
     }
+
+    if (storageLayout_ & dslSitePotential) {
+      internalCopy(sitePotential, source, num, target);
+    }
   }
 
   int DataStorage::getStorageLayout() {
@@ -430,6 +447,9 @@ namespace OpenMD {
     case dslFlucQForce:
       return internalGetArrayPointer(flucQFrc);
            
+    case dslSitePotential:
+      return internalGetArrayPointer(sitePotential);
+           
     default:
       //error message
       return NULL;
@@ -463,8 +483,8 @@ namespace OpenMD {
   }    
 
   template<typename T>
-  void DataStorage::internalResize(std::vector<T>& v, int newSize){
-    int oldSize = v.size();
+  void DataStorage::internalResize(std::vector<T>& v, std::size_t newSize){
+    std::size_t oldSize = v.size();
 
     if (oldSize == newSize) {
       return;
@@ -479,7 +499,8 @@ namespace OpenMD {
   }
 
   template<typename T>
-  void DataStorage::internalCopy(std::vector<T>& v, int source,  int num, int target) {
+  void DataStorage::internalCopy(std::vector<T>& v, int source,
+                                 std::size_t num, std::size_t target) {
     typename std::vector<T>::iterator first;
     typename std::vector<T>::iterator last;
     typename std::vector<T>::iterator result;
@@ -496,8 +517,8 @@ namespace OpenMD {
     std::copy(first, last, result);
   }
 
-  int DataStorage::getBytesPerStuntDouble(int layout) {
-    int bytes = 0;
+  std::size_t DataStorage::getBytesPerStuntDouble(int layout) {
+    std::size_t  bytes = 0;
     if (layout & dslPosition) {
       bytes += sizeof(Vector3d);
     }
@@ -549,6 +570,9 @@ namespace OpenMD {
     if (layout & dslFlucQForce) {
       bytes += sizeof(RealType);
     }
+    if (layout & dslSitePotential) {
+      bytes += sizeof(RealType);
+    }
 
     return bytes;
   }