ESPResSo
Extensible Simulation Package for Research on Soft Matter Systems
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ParticlePosition Struct Reference

Positional information on a particle. More...

#include <Particle.hpp>

+ Collaboration diagram for ParticlePosition:

Public Member Functions

Utils::Vector3d calc_director () const
 unit director calculated from the quaternion
 
template<class Archive >
void serialize (Archive &ar, long int)
 

Public Attributes

Utils::Vector3d p = {0., 0., 0.}
 periodically folded position.
 
Utils::Vector3i i = {0, 0, 0}
 index of the simulation box image where the particle really sits.
 
Utils::Quaternion< double > quat = Utils::Quaternion<double>::identity()
 quaternion to define particle orientation
 
Utils::Vector3d p_last_timestep = {0., 0., 0.}
 particle position at the previous time step (RATTLE algorithm)
 

Detailed Description

Positional information on a particle.

Information that is communicated to calculate interactions with ghost particles.

Definition at line 255 of file Particle.hpp.

Member Function Documentation

◆ calc_director()

Utils::Vector3d ParticlePosition::calc_director ( ) const
inline

unit director calculated from the quaternion

Definition at line 265 of file Particle.hpp.

References Utils::convert_quaternion_to_director(), and quat.

Referenced by Particle::calc_director().

◆ serialize()

template<class Archive >
void ParticlePosition::serialize ( Archive &  ar,
long int   
)
inline

Definition at line 275 of file Particle.hpp.

References i, p, p_last_timestep, and quat.

Member Data Documentation

◆ i

Utils::Vector3i ParticlePosition::i = {0, 0, 0}

index of the simulation box image where the particle really sits.

Definition at line 259 of file Particle.hpp.

Referenced by Particle::image_box(), Particle::image_box(), and serialize().

◆ p

Utils::Vector3d ParticlePosition::p = {0., 0., 0.}

periodically folded position.

Definition at line 257 of file Particle.hpp.

Referenced by Particle::pos(), Particle::pos(), and serialize().

◆ p_last_timestep

Utils::Vector3d ParticlePosition::p_last_timestep = {0., 0., 0.}

particle position at the previous time step (RATTLE algorithm)

Definition at line 272 of file Particle.hpp.

Referenced by Particle::pos_last_time_step(), Particle::pos_last_time_step(), and serialize().

◆ quat

Utils::Quaternion<double> ParticlePosition::quat = Utils::Quaternion<double>::identity()

quaternion to define particle orientation

Definition at line 263 of file Particle.hpp.

Referenced by calc_director(), Particle::quat(), Particle::quat(), and serialize().


The documentation for this struct was generated from the following file: