OpenMD 3.0
Molecular Dynamics in the Open
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OpenMD::AlphaHullFinder Class Reference
+ Inheritance diagram for OpenMD::AlphaHullFinder:

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
SimInfoinfo_ {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_
 
HullsurfaceMesh_
 
RealType surfaceArea_
 
RealType volume_
 
std::vector< StuntDouble * > localSites_
 

Detailed Description

Definition at line 81 of file HullFinder.hpp.

Constructor & Destructor Documentation

◆ AlphaHullFinder()

OpenMD::AlphaHullFinder::AlphaHullFinder ( SimInfo * si)

Definition at line 131 of file HullFinder.cpp.

Member Function Documentation

◆ setAlpha()

void OpenMD::AlphaHullFinder::setAlpha ( RealType alpha)

Definition at line 138 of file HullFinder.cpp.


The documentation for this class was generated from the following files: