RASPA3 3.0.12
A molecular simulation code for computing adsorption and diffusion in nanoporous materials
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CBMCMoveStatistics Struct Referenceexport
Collaboration diagram for CBMCMoveStatistics:

Public Member Functions

const std::string writeMCMoveStatistics () const
 

Public Attributes

std::uint64_t versionNumber {1}
 
MoveStatistics< double > bondLengthChange {.maxChange = double(0.15), .lowerLimit = double(0.01), .upperLimit = double(0.3)}
 
MoveStatistics< double > bendAngleChange {.maxChange = double(0.15), .lowerLimit = double(0.01), .upperLimit = double(0.4)}
 
MoveStatistics< double > conePositionChange {.maxChange = double(0.15), .lowerLimit = double(0.01), .upperLimit = double(0.4)}
 

Friends

Archive< std::ofstream > & operator<< (Archive< std::ofstream > &archive, const CBMCMoveStatistics &p)
 
Archive< std::ifstream > & operator>> (Archive< std::ifstream > &archive, CBMCMoveStatistics &p)
 

The documentation for this struct was generated from the following file: