OpenMD 3.1
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 81 of file HullFinder.hpp.
OpenMD::AlphaHullFinder::AlphaHullFinder | ( | SimInfo * | si | ) |
Definition at line 131 of file HullFinder.cpp.
void OpenMD::AlphaHullFinder::setAlpha | ( | RealType | alpha | ) |
Definition at line 138 of file HullFinder.cpp.