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13 #ifndef __SHORTBONDEDINTERACTION_H
14 #define __SHORTBONDEDINTERACTION_H
58 static string getType() {
return "ShortBonded";};
69 #endif // __SHORTBONDEDINTERACTION_H
double m_dist
current distance, cached from last calcForces()
Definition: BondedInteraction.h:80
double m_break
breaking distance
Definition: BondedInteraction.h:81
int getTag() const
Definition: BondedInteraction.h:109
friend ostream & operator<<(ostream &, const CBondedInteraction &)
Definition: BondedInteraction.cpp:314
Abstract base/interface class for packed messages to be used in TML_Pack.
Definition: packed_message_interface.h:29
Definition: ShortBondedInteractionCpData.h:31
CBondedIGP ParameterType
Definition: ShortBondedInteraction.h:36
Elastic interaction between bonded particles.
Definition: BondedInteraction.h:65
int m_tag
Interaction tag;.
Definition: BondedInteraction.h:84
double Count() const
Definition: Interaction.h:56
static VectorFieldFunction getVectorFieldFunction(const string &)
Definition: ShortBondedInteraction.cpp:76
Vec3 getForce() const
Definition: BondedInteraction.cpp:168
void setTag(int tag)
Definition: BondedInteraction.h:110
void saveCheckPointData(std::ostream &oStream)
Definition: ShortBondedInteraction.cpp:90
CShortBondedInteraction()
Definition: ShortBondedInteraction.cpp:22
static ScalarFieldFunction getScalarFieldFunction(const string &)
Definition: ShortBondedInteraction.cpp:47
double m_k
spring constant
Definition: BondedInteraction.h:78
double getPotentialEnergy() const
Definition: BondedInteraction.cpp:147
static CheckedScalarFieldFunction getCheckedScalarFieldFunction(const string &)
Definition: ShortBondedInteraction.cpp:66
Vec3 m_force
current force, cached for E_pot calculation
Definition: BondedInteraction.h:82
virtual double pop_double()=0
ShortBondedInteractionCpData CheckPointable
Definition: ShortBondedInteraction.h:40
void loadCheckPointData(std::istream &iStream)
Definition: ShortBondedInteraction.cpp:95
double m_r0
equilibrium distance
Definition: BondedInteraction.h:79
double getEquiDist() const
Definition: ShortBondedInteraction.h:59
#define NULL
Definition: t_list.h:17
virtual void saveCheckPointData(ostream &)
Definition: ShortBondedInteractionCpData.cpp:61
virtual void append(int)=0
double getStrain() const
Definition: BondedInteraction.cpp:158
static string getType()
Definition: ShortBondedInteraction.h:58
virtual ~CShortBondedInteraction()
Definition: ShortBondedInteraction.cpp:44
int tag
Definition: BondedInteraction.h:53
double k
Spring constant.
Definition: BondedInteraction.h:51
pair< bool, double >(CShortBondedInteraction::* CheckedScalarFieldFunction)() const
Definition: ShortBondedInteraction.h:43
double rbreak
Breaking strain.
Definition: BondedInteraction.h:52
class for a "short" bonded interaction
Definition: ShortBondedInteraction.h:34
Vec3 getPos() const
Definition: BasicParticle.h:62
vector< int > m_id
id's of the particles involved
Definition: Interaction.h:39
Interaction parameters for bonded interaction.
Definition: BondedInteraction.h:40
Class for a basic particle.
Definition: Particle.h:51
Vec3(CShortBondedInteraction::* VectorFieldFunction)() const
Definition: ShortBondedInteraction.h:44
double(CShortBondedInteraction::* ScalarFieldFunction)() const
Definition: ShortBondedInteraction.h:42
ostream & operator<<(ostream &ost, const CShortBondedInteraction &BI)
Definition: ShortBondedInteraction.cpp:100