13 #ifndef __ROTTHERMELASTICINTERACTION_H
14 #define __ROTTHERMELASTICINTERACTION_H
30 const std::string &name,
51 return "RotThermElastic";
89 static string getType(){
return "RotThermElastic";}
106 #endif //__ELASTICINTERACTION_H
Vec3 getForce() const
Definition: RotThermElasticInteraction.cpp:77
static VectorFieldFunction getVectorFieldFunction(const string &)
Definition: RotThermElasticInteraction.cpp:196
static string getType()
Definition: RotThermElasticInteraction.h:89
static CheckedScalarFieldFunction getCheckedScalarFieldFunction(const string &)
Definition: RotThermElasticInteraction.cpp:182
double(CRotThermElasticInteraction::* ScalarFieldFunction)() const
Definition: RotThermElasticInteraction.h:64
Definition: RotThermParticle.h:54
double m_kr
Definition: RotThermElasticInteraction.h:35
double diffusivity
Definition: RotThermElasticInteraction.h:36
Abstract base class for InteractionGroup parameters.
Definition: IGParam.h:28
CRotThermElasticIGP()
Definition: RotThermElasticInteraction.cpp:17
double m_nForce
normal force, always >= 0
Definition: RotThermElasticInteraction.h:75
Vec3(CRotThermElasticInteraction::* VectorFieldFunction)() const
Definition: RotThermElasticInteraction.h:66
double getSpringConst() const
Definition: RotThermElasticInteraction.h:40
double m_diffusivity
thermal diffusivity
Definition: RotThermElasticInteraction.h:78
double getDiffusivity() const
Definition: RotThermElasticInteraction.h:44
friend ostream & operator<<(ostream &, const CRotThermElasticInteraction &)
Definition: RotThermElasticInteraction.cpp:240
CRotThermElasticIGP * extractRotThermElasticIGP(AMPIBuffer *)
Definition: RotThermElasticInteractionGroup.cpp:27
Vec3 getBondedVector() const
virtual std::string getTypeString() const
Definition: RotThermElasticInteraction.h:49
Definition: RotThermPairInteraction.h:23
void setDiffusivity(double d)
Definition: RotThermElasticInteraction.h:43
static ScalarFieldFunction getScalarFieldFunction(const string &)
Definition: RotThermElasticInteraction.cpp:160
CRotThermElasticIGP * extractRotThermElasticIGP_p(AMPIBuffer *)
Definition: RotThermElasticInteractionGroup.cpp:40
virtual void loadRestartData(std::istream &iStream)
Definition: RotThermElasticInteraction.cpp:230
Abstract base class for MPI send/recv buffer.
Definition: mpibuf.h:33
virtual void saveRestartData(std::ostream &oStream)
Definition: RotThermElasticInteraction.cpp:215
virtual Vec3 getPos() const
Definition: RotThermElasticInteraction.h:87
virtual void calcForces()
Definition: RotThermElasticInteraction.cpp:96
pair< bool, double >(CRotThermElasticInteraction::* CheckedScalarFieldFunction)() const
Definition: RotThermElasticInteraction.h:65
virtual void packInto(CVarMPIBuffer *) const
Definition: RotThermElasticInteractionGroup.cpp:20
void setSpringConst(double k)
Definition: RotThermElasticInteraction.h:39
CRotThermElasticInteraction()
Definition: RotThermElasticInteraction.cpp:35
MPI send/recv buffer with automagically adjusted size.
Definition: mpivbuf.h:34
friend ostream & operator<<(ostream &, const CRotThermElasticIGP &)
Definition: RotThermElasticInteractionGroup.cpp:49
void calcHeatTrans()
Definition: RotThermElasticInteraction.cpp:131
double m_kr
spring constant
Definition: RotThermElasticInteraction.h:73
virtual ~CRotThermElasticInteraction()
Definition: RotThermElasticInteraction.h:85
CRotThermElasticIGP ParameterType
Definition: RotThermElasticInteraction.h:81
Vec3 m_force
caching force for E_pot
Definition: RotThermElasticInteraction.h:74
Definition: RotThermElasticInteraction.h:61
Vec3 m_cpos
current position
Definition: RotThermElasticInteraction.h:76
Vec3 m_D
initial positions of the particles
Definition: RotThermElasticInteraction.h:77
double getPotentialEnergy() const
Definition: RotThermElasticInteraction.cpp:148
Definition: RotThermElasticInteraction.h:23