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 |
void | initialize (BoxGeometry const &box_geo, CellStructure const &cell_structure) |
Set the IBM Tribend parameters. | |
IBMTribend (int ind1, int ind2, int ind3, int ind4, double kb, bool flat) | |
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 [25]. | |
Public Attributes | |
double | kb |
Bare bending modulus. | |
double | theta0 |
Reference angle. | |
std::tuple< int, int, int, int > | p_ids |
Particle ids. | |
bool | flat |
bool | is_initialized |
Static Public Attributes | |
static constexpr int | num = 3 |
Parameters for IBM tribend.
Definition at line 33 of file ibm_tribend.hpp.
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inline |
Definition at line 64 of file ibm_tribend.hpp.
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 [25].
p1
, p2
, p3
, p4
Definition at line 34 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 53 of file ibm_tribend.hpp.
void IBMTribend::initialize | ( | BoxGeometry const & | box_geo, |
CellStructure const & | cell_structure | ||
) |
Set the IBM Tribend parameters.
Also calculate and store the reference state. See details in [21] and [25].
Definition at line 96 of file ibm_tribend.cpp.
References flat, get_ibm_particle_position(), BoxGeometry::get_mi_vector(), is_initialized, p_ids, theta0, and vector_product().
bool IBMTribend::flat |
Definition at line 50 of file ibm_tribend.hpp.
Referenced by initialize().
bool IBMTribend::is_initialized |
Definition at line 51 of file ibm_tribend.hpp.
Referenced by initialize().
double IBMTribend::kb |
Bare bending modulus.
If triangle pairs appear only once, the total bending force should get a factor 2. For the numerical model, a factor \( \sqrt(3) \) should be added, see [21] and [25]. This is an approximation, it holds strictly only for a sphere
Definition at line 42 of file ibm_tribend.hpp.
Referenced by calc_forces().
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staticconstexpr |
Definition at line 55 of file ibm_tribend.hpp.
std::tuple<int, int, int, int> IBMTribend::p_ids |
double IBMTribend::theta0 |
Reference angle.
Definition at line 45 of file ibm_tribend.hpp.
Referenced by calc_forces(), and initialize().