ESPResSo
Extensible Simulation Package for Research on Soft Matter Systems
|
Parameters for the rigid_bond/SHAKE/RATTLE ALGORITHM. More...
#include <rigid_bond.hpp>
Public Member Functions | |
double | cutoff () const |
RigidBond (double d, double p_tol, double v_tol) | |
Public Attributes | |
double | d2 |
Square of the length of Constrained Bond. | |
double | p_tol |
Positional Tolerance/Accuracy value for termination of RATTLE/SHAKE iterations during position corrections. | |
double | v_tol |
Velocity Tolerance/Accuracy for termination of RATTLE/SHAKE iterations during velocity corrections. | |
Static Public Attributes | |
static constexpr int | num = 1 |
Parameters for the rigid_bond/SHAKE/RATTLE ALGORITHM.
Definition at line 33 of file rigid_bond.hpp.
|
inline |
Definition at line 49 of file rigid_bond.hpp.
|
inline |
Definition at line 45 of file rigid_bond.hpp.
References d2.
double RigidBond::d2 |
Square of the length of Constrained Bond.
Definition at line 35 of file rigid_bond.hpp.
Referenced by calculate_positional_correction(), calculate_velocity_correction(), and cutoff().
|
staticconstexpr |
Definition at line 47 of file rigid_bond.hpp.
double RigidBond::p_tol |
Positional Tolerance/Accuracy value for termination of RATTLE/SHAKE iterations during position corrections.
Definition at line 39 of file rigid_bond.hpp.
Referenced by calculate_positional_correction(), and RigidBond().
double RigidBond::v_tol |
Velocity Tolerance/Accuracy for termination of RATTLE/SHAKE iterations during velocity corrections.
Definition at line 43 of file rigid_bond.hpp.
Referenced by calculate_velocity_correction(), and RigidBond().