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Comparing branches/development/src/brains/DataStorage.cpp (file contents):
Revision 1808 by gezelter, Mon Oct 22 20:42:10 2012 UTC vs.
Revision 1874 by gezelter, Wed May 15 15:09:35 2013 UTC

# Line 35 | Line 35
35   *                                                                      
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).          
38 > * [3]  Sun, Lin & Gezelter, J. Chem. Phys. 128, 234107 (2008).          
39   * [4]  Kuang & Gezelter,  J. Chem. Phys. 133, 164101 (2010).
40   * [5]  Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011).
41   */
# Line 381 | Line 381 | namespace OpenMD {
381      switch (whichArray) {
382      case dslPosition:
383        return internalGetArrayPointer(position);
384 –      break;
384              
385      case dslVelocity:
386        return internalGetArrayPointer(velocity);
388 –      break;
387              
388      case dslForce:
389        return internalGetArrayPointer(force);
392 –      break;            
390  
391      case dslAmat:
392        return internalGetArrayPointer(aMat);
396 –      break;            
393              
394      case dslAngularMomentum:
395        return internalGetArrayPointer(angularMomentum);
400 –      break;
396              
397      case dslTorque:
398        return internalGetArrayPointer(torque);
404 –      break;
399  
400      case dslParticlePot:
401        return internalGetArrayPointer(particlePot);
408 –      break;
402  
403      case dslDensity:
404        return internalGetArrayPointer(density);
412 –      break;
405  
406      case dslFunctional:
407        return internalGetArrayPointer(functional);
416 –      break;
408  
409      case dslFunctionalDerivative:
410        return internalGetArrayPointer(functionalDerivative);
420 –      break;
411  
412      case dslDipole:
413        return internalGetArrayPointer(dipole);
424 –      break;
414  
415      case dslQuadrupole:
416        return internalGetArrayPointer(quadrupole);
428 –      break;
417  
418      case dslElectricField:
419        return internalGetArrayPointer(electricField);
432 –      break;
420  
421      case dslSkippedCharge:
422        return internalGetArrayPointer(skippedCharge);
436 –      break;
423  
424      case dslFlucQPosition:
425        return internalGetArrayPointer(flucQPos);
440 –      break;
426  
427      case dslFlucQVelocity:
428        return internalGetArrayPointer(flucQVel);
444 –      break;
429            
430      case dslFlucQForce:
431        return internalGetArrayPointer(flucQFrc);
448 –      break;
432            
433      default:
434        //error message
435        return NULL;
453 –
436      }
437    }    
438  
439    RealType* DataStorage::internalGetArrayPointer(std::vector<Vector3d>& v) {
440 <    if (v.size() == 0) {
440 >    if (v.empty()) {
441        return NULL;
442      } else {
443        return v[0].getArrayPointer();
# Line 463 | Line 445 | namespace OpenMD {
445    }
446  
447    RealType* DataStorage::internalGetArrayPointer(std::vector<Mat3x3d>& v) {
448 <    if (v.size() == 0) {
448 >    if (v.empty()) {
449        return NULL;
450      } else {
451        return v[0].getArrayPointer();
# Line 472 | Line 454 | namespace OpenMD {
454    }
455  
456    RealType* DataStorage::internalGetArrayPointer(std::vector<RealType>& v) {
457 <    if (v.size() == 0) {
457 >    if (v.empty()) {
458        return NULL;
459      } else {
460        return &(v[0]);

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