|
OpenMD 3.2
Molecular Dynamics in the Open
|
Velocity Verlet Constraint Algorithm. More...
#include "constraints/Rattle.hpp"
Public Types | |
| enum | ConsStatus { consFail = -1 , consSuccess = 0 , consAlready = 1 } |
Public Member Functions | |
| Rattle (SimInfo *info) | |
| void | constraintA () |
| void | constraintB () |
| int | getMaxConsIteration () |
| void | setMaxConsIteration (int iteration) |
| RealType | getConsTolerance () |
| void | setConsTolerance (RealType tolerance) |
Velocity Verlet Constraint Algorithm.
Definition at line 61 of file Rattle.hpp.
| enum OpenMD::Rattle::ConsStatus |
Definition at line 63 of file Rattle.hpp.
| OpenMD::Rattle::Rattle | ( | SimInfo * | info | ) |
Definition at line 61 of file Rattle.cpp.
| OpenMD::Rattle::~Rattle | ( | ) |
Definition at line 101 of file Rattle.cpp.
| void OpenMD::Rattle::constraintA | ( | ) |
Definition at line 103 of file Rattle.cpp.
| void OpenMD::Rattle::constraintB | ( | ) |
Definition at line 107 of file Rattle.cpp.
|
inline |
Definition at line 78 of file Rattle.hpp.
|
inline |
Definition at line 75 of file Rattle.hpp.
|
inline |
Definition at line 79 of file Rattle.hpp.
|
inline |
Definition at line 76 of file Rattle.hpp.