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

Public Member Functions

void setForceField (ForceField *ff)
 
void setSimulatedAtomTypes (AtomTypeSet &simtypes)
 
void addExplicitInteraction (AtomType *atype1, AtomType *atype2, RealType sigma, RealType epsilon, int nRep, int mAtt)
 
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 65 of file Mie.hpp.

Constructor & Destructor Documentation

◆ Mie()

OpenMD::Mie::Mie ( )

Definition at line 58 of file Mie.cpp.

Member Function Documentation

◆ addExplicitInteraction()

void OpenMD::Mie::addExplicitInteraction ( AtomType * atype1,
AtomType * atype2,
RealType sigma,
RealType epsilon,
int nRep,
int mAtt )

Definition at line 135 of file Mie.cpp.

◆ calcForce()

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

Implements OpenMD::NonBondedInteraction.

Definition at line 188 of file Mie.cpp.

◆ getHash()

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

Implements OpenMD::NonBondedInteraction.

Definition at line 78 of file Mie.hpp.

◆ getName()

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

Implements OpenMD::NonBondedInteraction.

Definition at line 77 of file Mie.hpp.

◆ getSuggestedCutoffRadius()

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

Implements OpenMD::NonBondedInteraction.

Definition at line 250 of file Mie.cpp.

◆ setForceField()

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

Definition at line 68 of file Mie.hpp.

◆ setSimulatedAtomTypes()

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

Definition at line 69 of file Mie.hpp.


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