RASPA3 3.0.12
A molecular simulation code for computing adsorption and diffusion in nanoporous materials
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Collects and manages statistical data for move operations. More...
Public Member Functions | |
bool | operator== (MoveStatistics< T > const &) const =default |
void | clear () |
Resets the statistical counters. | |
void | optimizeAcceptance () |
Optimizes the acceptance rate of moves. | |
template<class U > | |
MoveStatistics & | operator+= (const MoveStatistics< U > &b) |
Friends | |
template<class U > | |
Archive< std::ofstream > & | operator<< (Archive< std::ofstream > &archive, const MoveStatistics< U > &m) |
template<class U > | |
Archive< std::ifstream > & | operator>> (Archive< std::ifstream > &archive, MoveStatistics< U > &m) |
Collects and manages statistical data for move operations.
The MoveStatistics
struct accumulates statistics related to move operations in simulations. It keeps track of counts, acceptance rates, and allows for optimization of move parameters based on these statistics.
T | The numeric type used for counting and statistical calculations (e.g., double ). |
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inline |
Resets the statistical counters.
Clears all the counts and statistics to start fresh.
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inline |
Optimizes the acceptance rate of moves.
Adjusts the maximum change allowed in move parameters based on the acceptance rate to approach the target acceptance rate.