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OpenMD 3.2
Molecular Dynamics in the Open
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Public Member Functions | |
| AlphaHullFinder (SimInfo *si) | |
| void | setAlpha (RealType alpha) |
| Public Member Functions inherited from OpenMD::HullFinder | |
| HullFinder (SimInfo *si) | |
| SelectionSet | findHull () |
| SelectionSet | findHull (int frame) |
| RealType | getSurfaceArea () |
| RealType | getVolume () |
Additional Inherited Members | |
| Public Attributes inherited from OpenMD::HullFinder | |
| SimInfo * | info_ {nullptr} |
| std::vector< StuntDouble * > | stuntdoubles_ |
| std::vector< Bond * > | bonds_ |
| std::vector< Bend * > | bends_ |
| std::vector< Torsion * > | torsions_ |
| std::vector< Inversion * > | inversions_ |
| std::vector< Molecule * > | molecules_ |
| vector< int > | nObjects_ |
| Hull * | surfaceMesh_ |
| RealType | surfaceArea_ |
| RealType | volume_ |
| std::vector< StuntDouble * > | localSites_ |
Definition at line 89 of file HullFinder.hpp.
| OpenMD::AlphaHullFinder::AlphaHullFinder | ( | SimInfo * | si | ) |
Definition at line 128 of file HullFinder.cpp.
| void OpenMD::AlphaHullFinder::setAlpha | ( | RealType | alpha | ) |
Definition at line 135 of file HullFinder.cpp.