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
MCMoveProbabilities Struct Referenceexport
module mc_moves_probabilities
Collaboration diagram for MCMoveProbabilities:
Collaboration graph
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Public Member Functions

bool operator== (MCMoveProbabilities const &) const =default
 
 MCMoveProbabilities (double translationProbability=0.0, double randomTranslationProbability=0.0, double rotationProbability=0.0, double randomRotationProbability=0.0, double volumeChangeProbability=0.0, double reinsertionCBMCProbability=0.0, double partialReinsertionCBMCProbability=0.0, double identityChangeCBMCProbability=0.0, double swapProbability=0.0, double swapCBMCProbability=0.0, double swapCFCMCProbability=0.0, double swapCBCFCMCProbability=0.0, double gibbsVolumeChangeProbability=0.0, double gibbsSwapCBMCProbability=0.0, double gibbsSwapCFCMCProbability=0.0, double widomProbability=0.0, double widomCFCMCProbability=0.0, double widomCBCFCMCProbability=0.0, double parallelTemperingProbability=0.0, double hybridMCProbability=0.0)
 
double getProbability (const MoveTypes &move) const
 
void setProbability (const MoveTypes &move, double probability)
 
const std::map< MoveTypes, double > normalizedMap () const
 
void removeRedundantMoves ()
 
MoveTypes sample (RandomNumber &random)
 
void join (const MCMoveProbabilities &other)
 

Public Attributes

std::uint64_t versionNumber {2}
 
std::map< MoveTypes, double > probabilities
 

Friends

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