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Comparing branches/development/src/brains/DataStorage.cpp (file contents):
Revision 1583 by gezelter, Thu Jun 16 22:00:08 2011 UTC vs.
Revision 1665 by gezelter, Tue Nov 22 20:38:56 2011 UTC

# Line 36 | Line 36
36   * [1]  Meineke, et al., J. Comp. Chem. 26, 252-271 (2005).            
37   * [2]  Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006).          
38   * [3]  Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008).          
39 < * [4]  Vardeman & Gezelter, in progress (2009).                        
39 > * [4]  Kuang & Gezelter,  J. Chem. Phys. 133, 164101 (2010).
40 > * [5]  Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011).
41   */
42  
43   /**
# Line 126 | Line 127 | namespace OpenMD {
127        //error
128        std::cerr << "size does not match"<< std::endl;        
129      }
130 +
131 +    if (storageLayout_ & dslSkippedCharge && skippedCharge.size() != size_) {
132 +      //error
133 +      std::cerr << "size does not match"<< std::endl;        
134 +    }
135      
136      return size_;
137  
# Line 185 | Line 191 | namespace OpenMD {
191        internalResize(electricField, newSize);
192      }
193  
194 +    if (storageLayout_ & dslSkippedCharge) {
195 +      internalResize(skippedCharge, newSize);
196 +    }
197 +
198      size_ = newSize;
199    }
200  
# Line 241 | Line 251 | namespace OpenMD {
251        electricField.reserve(size);
252      }
253  
254 +    if (storageLayout_ & dslSkippedCharge) {
255 +      skippedCharge.reserve(size);
256 +    }
257 +
258    }
259  
260    void DataStorage::copy(int source, int num, int target) {
# Line 299 | Line 313 | namespace OpenMD {
313      if (storageLayout_ & dslElectricField) {
314        internalCopy(electricField, source, num, target);
315      }
316 +
317 +    if (storageLayout_ & dslSkippedCharge) {
318 +      internalCopy(skippedCharge, source, num, target);
319 +    }
320    }
321  
322    int DataStorage::getStorageLayout() {
# Line 364 | Line 382 | namespace OpenMD {
382      case dslElectricField:
383        return internalGetArrayPointer(electricField);
384        break;
385 +
386 +    case dslSkippedCharge:
387 +      return internalGetArrayPointer(skippedCharge);
388 +      break;
389            
390      default:
391        //error message
# Line 473 | Line 495 | namespace OpenMD {
495      if (layout & dslElectricField) {
496        bytes += sizeof(Vector3d);
497      }
498 +    if (layout & dslSkippedCharge) {
499 +      bytes += sizeof(RealType);
500 +    }
501  
502      return bytes;
503    }

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