CBMCMoveStatistics Struct Reference

Collaboration diagram for CBMCMoveStatistics:

Public Member Functions
const std::string	writeMCMoveStatistics () const

Public Attributes
std::uint64_t	versionNumber {1}
MoveStatistics< double >	bondLengthChange
MoveStatistics< double >	bendAngleChange
MoveStatistics< double >	conePositionChange

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

Member Data Documentation

bendAngleChange

MoveStatistics<double> CBMCMoveStatistics::bendAngleChange

Initial value:

{
      .maxChange = 0.3, .lowerLimit = 0.01, .upperLimit = 0.5}

bondLengthChange

MoveStatistics<double> CBMCMoveStatistics::bondLengthChange

Initial value:

{
      .maxChange = 0.3, .lowerLimit = 0.01, .upperLimit = 0.5}

conePositionChange

MoveStatistics<double> CBMCMoveStatistics::conePositionChange

Initial value:

{
      .maxChange = 0.3, .lowerLimit = 0.01, .upperLimit = 0.5}

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

• src/raspakit/cbmc/flexible_molecules/cbmc_statistics.ixx