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

Public Member Functions

void setForceField (ForceField *ff)
 
void setSimulatedAtomTypes (AtomTypeSet &simtypes)
 
void addExplicitInteraction (AtomType *atype1, AtomType *atype2, RealType De, RealType beta, RealType Re, RealType ca1, RealType cb1)
 
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 66 of file MAW.hpp.

Constructor & Destructor Documentation

◆ MAW()

OpenMD::MAW::MAW ( )

Definition at line 57 of file MAW.cpp.

Member Function Documentation

◆ addExplicitInteraction()

void OpenMD::MAW::addExplicitInteraction ( AtomType * atype1,
AtomType * atype2,
RealType De,
RealType beta,
RealType Re,
RealType ca1,
RealType cb1 )

Definition at line 136 of file MAW.cpp.

◆ calcForce()

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

Implements OpenMD::NonBondedInteraction.

Definition at line 162 of file MAW.cpp.

◆ getHash()

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

Implements OpenMD::NonBondedInteraction.

Definition at line 79 of file MAW.hpp.

◆ getName()

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

Implements OpenMD::NonBondedInteraction.

Definition at line 78 of file MAW.hpp.

◆ getSuggestedCutoffRadius()

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

Implements OpenMD::NonBondedInteraction.

Definition at line 302 of file MAW.cpp.

◆ setForceField()

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

Definition at line 69 of file MAW.hpp.

◆ setSimulatedAtomTypes()

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

Definition at line 70 of file MAW.hpp.


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