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

Public Member Functions

void setForceField (ForceField *ff)
 
void setSimulatedAtomTypes (AtomTypeSet &simtypes)
 
void addType (AtomType *atomType)
 
virtual void calcForce (InteractionData &idat)
 
virtual string getName ()
 
virtual int getHash ()
 
virtual RealType getSuggestedCutoffRadius (pair< AtomType *, AtomType * > atypes)
 
- Public Member Functions inherited from OpenMD::VanDerWaalsInteraction
virtual InteractionFamily getFamily ()
 

Detailed Description

Definition at line 69 of file GB.hpp.

Constructor & Destructor Documentation

◆ GB()

OpenMD::GB::GB ( )

Definition at line 93 of file GB.cpp.

Member Function Documentation

◆ addType()

void OpenMD::GB::addType ( AtomType * atomType)

Definition at line 124 of file GB.cpp.

◆ calcForce()

void OpenMD::GB::calcForce ( InteractionData & idat)
virtual

Implements OpenMD::NonBondedInteraction.

Definition at line 269 of file GB.cpp.

◆ getHash()

virtual int OpenMD::GB::getHash ( )
inlinevirtual

Implements OpenMD::NonBondedInteraction.

Definition at line 80 of file GB.hpp.

◆ getName()

virtual string OpenMD::GB::getName ( )
inlinevirtual

Implements OpenMD::NonBondedInteraction.

Definition at line 79 of file GB.hpp.

◆ getSuggestedCutoffRadius()

RealType OpenMD::GB::getSuggestedCutoffRadius ( pair< AtomType *, AtomType * > atypes)
virtual

Implements OpenMD::NonBondedInteraction.

Definition at line 375 of file GB.cpp.

◆ setForceField()

void OpenMD::GB::setForceField ( ForceField * ff)
inline

Definition at line 72 of file GB.hpp.

◆ setSimulatedAtomTypes()

void OpenMD::GB::setSimulatedAtomTypes ( AtomTypeSet & simtypes)
inline

Definition at line 73 of file GB.hpp.


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