Structural Bioinformatics Library
Template C++ / Python API for developping structural bioinformatics applications.
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This is the main class that runs a Wang-Landau simulation.
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#include <Wang_Landau.hpp>
Classes | |
struct | Roll_Back_Restoration_Point |
Informotion used to roll back, including the states for random number generators. More... | |
class | WL_DS_Interface |
Class used by the move set controllers (one for each move set), to access information stored in the DS Nb: for WL, there is a single move set, the combined one. More... | |
Public Member Functions | |
void | run_WL (uint64_t maxSteps) |
const WL_DS & | get_data_structure () const |
get_data_structure More... | |
This is the main class that runs a Wang-Landau simulation.
Requires a Physical System and Move set Traits template parameter–but a default WL Data Structure is provided.
Physical_System. | |
Move_set_Traits. | |
WL_DS. |
struct SBL::GT::T_Wang_Landau::Roll_Back_Restoration_Point |
Informotion used to roll back, including the states for random number generators.
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inline |
get_data_structure
void run_WL | ( | uint64_t | maxSteps | ) |
Run the Wang landau algorithm. Note: if one wants to launch the algorithm twice with the same parameters, this class should be instanciated twice, and one should not call twice this function on the same instance.
[in] | maxSteps | number of steps of the algorithm |