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root/OpenMD/branches/development/src/rnemd/RNEMD.cpp
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Comparing branches/development/src/rnemd/RNEMD.cpp (file contents):
Revision 1866 by gezelter, Thu Apr 25 14:32:56 2013 UTC vs.
Revision 1867 by gezelter, Mon Apr 29 17:53:48 2013 UTC

# Line 1730 | Line 1730 | namespace OpenMD {
1730        int isd;
1731        StuntDouble* sd;
1732        vector<StuntDouble*> aSites;
1733      ConvexHull* surfaceMeshA = new ConvexHull();
1733        seleManA_.setSelectionSet(evaluatorA_.evaluate());
1734        for (sd = seleManA_.beginSelected(isd); sd != NULL;
1735             sd = seleManA_.nextSelected(isd)) {
1736          aSites.push_back(sd);
1737        }
1738 <
1738 >      ConvexHull* surfaceMeshA = new ConvexHull();
1739        surfaceMeshA->computeHull(aSites);
1740        areaA = surfaceMeshA->getArea();
1741 +      delete surfaceMeshA;
1742 +
1743      } else {
1744        if (usePeriodicBoundaryConditions_) {
1745          // in periodic boundaries, the surface area is twice the x-y
# Line 1758 | Line 1759 | namespace OpenMD {
1759        int isd;
1760        StuntDouble* sd;
1761        vector<StuntDouble*> bSites;
1761
1762        seleManB_.setSelectionSet(evaluatorB_.evaluate());
1763    
1763        for (sd = seleManB_.beginSelected(isd); sd != NULL;
1764             sd = seleManB_.nextSelected(isd)) {
1765          bSites.push_back(sd);
1766        }
1767 <
1769 <      ConvexHull* surfaceMeshB = new ConvexHull();
1770 <
1767 >      ConvexHull* surfaceMeshB = new ConvexHull();    
1768        surfaceMeshB->computeHull(bSites);
1769        areaB = surfaceMeshB->getArea();
1770 +      delete surfaceMeshB;
1771 +
1772      } else {
1773        if (usePeriodicBoundaryConditions_) {
1774          // in periodic boundaries, the surface area is twice the x-y

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