13 #ifndef __ROTBONDEDINTERACTION_H
14 #define __ROTBONDEDINTERACTION_H
42 const std::string &name,
60 const std::string &name,
193 #endif //__BONDEDINTERACTION_H
Class for a rotational particle.
Definition: RotParticle.h:53
bool broken()
Definition: RotBondedInteraction.cpp:240
Abstract base class interactions between 2 rotational particles.
Definition: RotPairInteraction.h:28
double m_beta2
Definition: RotBondedInteraction.h:139
Definition: BondedInteractionCpData.h:25
int m_tag
Definition: RotBondedInteraction.h:134
Vec3(CRotBondedInteraction::* VectorFieldFunction)() const
Definition: RotBondedInteraction.h:106
static VectorFieldFunction getVectorFieldFunction(const string &)
Definition: RotBondedInteraction.cpp:601
virtual void loadRestartData(std::istream &iStream)
Definition: RotBondedInteraction.cpp:741
void calcForces()
Definition: RotBondedInteraction.cpp:372
double max_nForce
Definition: RotBondedInteraction.h:78
double m_kr
spring constant
Definition: RotBondedInteraction.h:114
double ks
Definition: RotBondedInteraction.h:77
Abstract base class for InteractionGroup parameters.
Definition: IGParam.h:28
Vec3 getTangentialForce() const
Definition: RotBondedInteraction.cpp:560
int getTag() const
Definition: RotBondedInteraction.cpp:221
Vec3 m_D
initial positions of the particles
Definition: RotBondedInteraction.h:133
double kt
Definition: RotBondedInteraction.h:77
double getNormalPotentialEnergy() const
Definition: RotBondedInteraction.cpp:528
double m_max_tMoment
Definition: RotBondedInteraction.h:121
bool meanR_scaling
Definition: RotBondedInteraction.h:81
Vec3 getP2ShearForcePt() const
Definition: RotBondedInteraction.cpp:311
double m_kb
Definition: RotBondedInteraction.h:116
CRotBondedInteraction()
Definition: RotBondedInteraction.cpp:140
double m_bMoment
Definition: RotBondedInteraction.h:127
virtual std::string getTypeString() const
Definition: RotBondedInteraction.h:72
double m_kt
Definition: RotBondedInteraction.h:117
double m_ks
Definition: RotBondedInteraction.h:115
double max_bMoment
Definition: RotBondedInteraction.h:78
double max_tMoment
Definition: RotBondedInteraction.h:78
void setTag(int tag)
Definition: RotBondedInteraction.cpp:226
static ScalarFieldFunction getScalarFieldFunction(const string &)
Definition: RotBondedInteraction.cpp:570
Elastic interaction between bonded particles between rotational particles.
Definition: RotBondedInteraction.h:94
double getCriterion() const
Definition: RotBondedInteraction.cpp:286
double kr
Definition: RotBondedInteraction.h:77
virtual void saveCheckPointData(std::ostream &oStream)
Definition: RotBondedInteraction.cpp:634
BondedInteractionCpData CheckPointable
Definition: RotBondedInteraction.h:102
double getShearPotentialEnergy() const
Definition: RotBondedInteraction.cpp:533
double m_max_nForce
Definition: RotBondedInteraction.h:119
CRotBondedIGP()
Definition: RotBondedInteraction.cpp:53
Vec3 m_force
current force, cached for E_pot calculation
Definition: RotBondedInteraction.h:129
Vec3 getContactPoint() const
Definition: RotBondedInteraction.cpp:330
double beta2
Definition: RotBondedInteraction.h:84
double m_nForce
Definition: RotBondedInteraction.h:124
double m_r0
equilibrium separation
Definition: RotBondedInteraction.h:112
virtual void loadCheckPointData(std::istream &iStream)
Definition: RotBondedInteraction.cpp:639
double beta1
Definition: RotBondedInteraction.h:83
Vec3 m_moment
Definition: RotBondedInteraction.h:130
bool scaling
Definition: RotBondedInteraction.h:80
double max_shForce
Definition: RotBondedInteraction.h:78
bool m_scaling
Definition: RotBondedInteraction.h:135
friend ostream & operator<<(ostream &, const CRotBondedInteraction &)
Definition: RotBondedInteraction.cpp:765
Interaction parameters for bonded interaction between rotational particles.
Definition: RotBondedInteraction.h:37
double m_shForce
Definition: RotBondedInteraction.h:125
double m_tMoment
Definition: RotBondedInteraction.h:126
Vec3 getNormalForce() const
Definition: RotBondedInteraction.cpp:553
Vec3 getShearDiff() const
Definition: RotBondedInteraction.cpp:321
virtual void saveRestartData(std::ostream &oStream)
Definition: RotBondedInteraction.cpp:714
bool m_meanR_scaling
Definition: RotBondedInteraction.h:136
double getBendPotentialEnergy() const
Definition: RotBondedInteraction.cpp:543
Vec3 m_cpos
Definition: RotBondedInteraction.h:132
int tag
Definition: RotBondedInteraction.h:79
virtual Vec3 getPos() const
Definition: RotBondedInteraction.h:169
Vec3 getInitialMidPoint() const
Definition: RotBondedInteraction.cpp:304
Vec3 getCentrePtDiff() const
Definition: RotBondedInteraction.cpp:299
double m_max_bMoment
Definition: RotBondedInteraction.h:122
Vec3 getP1ShearForcePt() const
Definition: RotBondedInteraction.cpp:316
virtual ~CRotBondedInteraction()
Definition: RotBondedInteraction.cpp:231
static string getType()
Definition: RotBondedInteraction.h:151
double getPotentialEnergy() const
Definition: RotBondedInteraction.cpp:517
pair< bool, double >(CRotBondedInteraction::* CheckedScalarFieldFunction)() const
Definition: RotBondedInteraction.h:105
double getTwistPotentialEnergy() const
Definition: RotBondedInteraction.cpp:538
double(CRotBondedInteraction::* ScalarFieldFunction)() const
Definition: RotBondedInteraction.h:104
double kb
Definition: RotBondedInteraction.h:77
Vec3 getForce() const
Definition: RotBondedInteraction.cpp:548
double calc_angle(double, double)
Definition: RotBondedInteraction.cpp:22
double m_truncated
Definition: RotBondedInteraction.h:137
CRotBondedIGP ParameterType
Definition: RotBondedInteraction.h:97
double truncated
Definition: RotBondedInteraction.h:82
static CheckedScalarFieldFunction getCheckedScalarFieldFunction(const string &)
Definition: RotBondedInteraction.cpp:624
double m_beta1
Definition: RotBondedInteraction.h:138
double m_max_shForce
Definition: RotBondedInteraction.h:120
Vec3 getInitialCentrePtDiff() const
Definition: RotBondedInteraction.cpp:294
double m_dist
current distance, cached from last calcForces()
Definition: RotBondedInteraction.h:111
Abstract base/interface class for packed messages to be used in TML_Pack.
Definition: packed_message_interface.h:28