ESPResSo
Extensible Simulation Package for Research on Soft Matter Systems
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Parameters for IBM tribend. More...
#include <ibm_tribend.hpp>
Public Member Functions | |
double | cutoff () const |
IBMTribend (int ind1, int ind2, int ind3, int ind4, double kb, bool flat) | |
Set the IBM Tribend parameters. | |
std::tuple< Utils::Vector3d, Utils::Vector3d, Utils::Vector3d, Utils::Vector3d > | calc_forces (BoxGeometry const &box_geo, Particle const &p1, Particle const &p2, Particle const &p3, Particle const &p4) const |
Calculate the forces The equations can be found in Appendix C of [26]. | |
Public Attributes | |
double | kb |
Interaction data. | |
double | theta0 |
Reference angle. | |
Static Public Attributes | |
static constexpr int | num = 3 |
Parameters for IBM tribend.
Definition at line 33 of file ibm_tribend.hpp.
IBMTribend::IBMTribend | ( | int | ind1, |
int | ind2, | ||
int | ind3, | ||
int | ind4, | ||
double | kb, | ||
bool | flat | ||
) |
Set the IBM Tribend parameters.
Also calculate and store the reference state. See details in [22] and [26].
Definition at line 95 of file ibm_tribend.cpp.
References System::System::box_geo, get_ibm_particle_position(), System::get_system(), kb, Utils::pi(), theta0, and vector_product().
std::tuple< Utils::Vector3d, Utils::Vector3d, Utils::Vector3d, Utils::Vector3d > IBMTribend::calc_forces | ( | BoxGeometry const & | box_geo, |
Particle const & | p1, | ||
Particle const & | p2, | ||
Particle const & | p3, | ||
Particle const & | p4 | ||
) | const |
Calculate the forces The equations can be found in Appendix C of [26].
p1
, p2
, p3
, p4
Definition at line 33 of file ibm_tribend.cpp.
References BoxGeometry::get_mi_vector(), kb, Particle::pos(), theta0, and vector_product().
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inline |
Definition at line 40 of file ibm_tribend.hpp.
double IBMTribend::kb |
Interaction data.
Definition at line 35 of file ibm_tribend.hpp.
Referenced by calc_forces(), and IBMTribend().
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staticconstexpr |
Definition at line 43 of file ibm_tribend.hpp.
double IBMTribend::theta0 |
Reference angle.
Definition at line 38 of file ibm_tribend.hpp.
Referenced by calc_forces(), and IBMTribend().