RASPA3 3.0.12
A molecular simulation code for computing adsorption and diffusion in nanoporous materials
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Public Member Functions | Public Attributes | Friends | List of all members
MCMoveStatistics Struct Referenceexport
module mc_moves_statistics
Collaboration diagram for MCMoveStatistics:
Collaboration graph
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Public Member Functions

bool operator== (MCMoveStatistics const &) const =default
 
void clearMoveStatistics ()
 
void optimizeMCMoves ()
 
void addAllCounts (const MoveTypes &move)
 
void addTrial (const MoveTypes &move)
 
void addTrial (const MoveTypes &move, std::size_t direction)
 
void addConstructed (const MoveTypes &move)
 
void addConstructed (const MoveTypes &move, std::size_t direction)
 
void addAccepted (const MoveTypes &move)
 
void addAccepted (const MoveTypes &move, std::size_t direction)
 
double getMaxChange (const MoveTypes &move)
 
double getMaxChange (const MoveTypes &move, std::size_t direction)
 
void setMaxChange (const MoveTypes &move, double value)
 
const std::string writeMCMoveStatistics () const
 
const std::string writeMCMoveStatistics (std::size_t countTotal) const
 
const nlohmann::json jsonMCMoveStatistics () const
 
MCMoveStatistics & operator+= (const MCMoveStatistics &b)
 

Public Attributes

std::uint64_t versionNumber {2}
 
std::map< MoveTypes, MoveStatistics< double > > statsMapDouble
 
std::map< MoveTypes, MoveStatistics< double3 > > statsMapDouble3
 

Friends

Archive< std::ofstream > & operator<< (Archive< std::ofstream > &archive, const MCMoveStatistics &p)
 
Archive< std::ifstream > & operator>> (Archive< std::ifstream > &archive, MCMoveStatistics &p)
 
The documentation for this struct was generated from the following file: