ESPResSo
Extensible Simulation Package for Research on Soft Matter Systems
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virtual_sites.hpp File Reference
#include "config/config.hpp"
#include "BoxGeometry.hpp"
#include "Particle.hpp"
#include "PropagationMode.hpp"
#include <utils/quaternion.hpp>
#include <tuple>
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Go to the source code of this file.

Functions

std::tuple< Utils::Quaternion< double >, double > calculate_vs_relate_to_params (Particle const &p_current, Particle const &p_relate_to, BoxGeometry const &box_geo, double min_global_cut, bool override_cutoff_check=false)
 Calculate the rotation quaternion and distance between two particles.
 
void vs_relate_to (Particle &p_vs, Particle const &p_relate_to, BoxGeometry const &box_geo, double min_global_cut)
 Setup a virtual site to track a real particle.
 

Function Documentation

◆ calculate_vs_relate_to_params()

std::tuple< Utils::Quaternion< double >, double > calculate_vs_relate_to_params ( Particle const &  p_current,
Particle const &  p_relate_to,
BoxGeometry const &  box_geo,
double  min_global_cut,
bool  override_cutoff_check = false 
)

◆ vs_relate_to()

void vs_relate_to ( Particle p_vs,
Particle const &  p_relate_to,
BoxGeometry const &  box_geo,
double  min_global_cut 
)
inline

Setup a virtual site to track a real particle.

Parameters
[in]box_geoBox geometry.
[in,out]p_vsVirtual site.
[in]p_relate_toReal particle to follow.
[in]min_global_cutMinimal global cutoff.

Definition at line 48 of file virtual_sites.hpp.

References calculate_vs_relate_to_params(), Particle::id(), Particle::propagation(), PropagationMode::ROT_VS_RELATIVE, PropagationMode::TRANS_VS_RELATIVE, and Particle::vs_relative().

Referenced by CollisionDetection::place_vs_and_relate_to_particle().