AddtoForbiddenlist(GNode &node, std::vector< GNode * > &forbiddenid) const | votca::xtp::KMCCalculator | protected |
Calculator()=default | votca::tools::Calculator | |
carriers_ | votca::xtp::KMCCalculator | protected |
carriertype_ | votca::xtp::KMCCalculator | protected |
CheckForbidden(const GNode &node, const std::vector< GNode * > &forbiddenlist) const | votca::xtp::KMCCalculator | protected |
CheckSurrounded(const GNode &node, const std::vector< GNode * > &forbiddendests) const | votca::xtp::KMCCalculator | protected |
ChooseAffectedCarrier(double cumulated_rate) | votca::xtp::KMCCalculator | protected |
ChooseHoppingDest(const GNode &node) | votca::xtp::KMCCalculator | protected |
diffusionresolution_ | votca::xtp::KMCMultiple | private |
Evaluate(Topology &top) | votca::xtp::KMCMultiple | protectedvirtual |
EvaluateFrame(Topology &top) | votca::xtp::QMCalculator | |
field_ | votca::xtp::KMCCalculator | protected |
Identify() const | votca::xtp::KMCMultiple | inlinevirtual |
ignoresegments_ | votca::xtp::KMCCalculator | protected |
Initialize(const tools::Property &opt) final | votca::xtp::QMCalculator | virtual |
injection_name_ | votca::xtp::KMCCalculator | protected |
injectionmethod_ | votca::xtp::KMCCalculator | protected |
intermediateoutput_frequency_ | votca::xtp::KMCMultiple | private |
KMCMultiple()=default | votca::xtp::KMCMultiple | |
LoadGraph(Topology &top) | votca::xtp::KMCCalculator | protected |
log_ | votca::xtp::KMCCalculator | protected |
maverick_ | votca::tools::Calculator | protected |
maxrealtime_ | votca::xtp::KMCCalculator | protected |
nodes_ | votca::xtp::KMCCalculator | protected |
nThreads_ | votca::tools::Calculator | protected |
numberofcarriers_ | votca::xtp::KMCCalculator | protected |
occfile_ | votca::xtp::KMCCalculator | protected |
outputtime_ | votca::xtp::KMCMultiple | private |
Package() const final | votca::xtp::QMCalculator | inlinevirtual |
ParseCommonOptions(const tools::Property &options) | votca::xtp::KMCCalculator | protected |
ParseOptions(const tools::Property &options) final | votca::xtp::KMCCalculator | inlinevirtual |
ParseSpecificOptions(const tools::Property &user_options) | votca::xtp::KMCMultiple | protectedvirtual |
PrintChargeVelocity(double simtime) | votca::xtp::KMCMultiple | private |
PrintDiagDandMu(const Eigen::Matrix3d &avgdiffusiontensor, double simtime, unsigned long step) | votca::xtp::KMCMultiple | private |
PrintDiffandMu(const Eigen::Matrix3d &avgdiffusiontensor, double simtime, unsigned long step) | votca::xtp::KMCMultiple | private |
Promotetime(double cumulated_rate) | votca::xtp::KMCCalculator | protected |
QMCalculator()=default | votca::xtp::QMCalculator | |
RandomlyAssignCarriertoSite(Chargecarrier &Charge) | votca::xtp::KMCCalculator | protected |
RandomlyCreateCharges() | votca::xtp::KMCCalculator | protected |
RandomVariable_ | votca::xtp::KMCCalculator | protected |
ratefile_ | votca::xtp::KMCCalculator | protected |
ResetForbiddenlist(std::vector< GNode * > &forbiddenid) const | votca::xtp::KMCCalculator | protected |
runtime_ | votca::xtp::KMCMultiple | private |
RunVSSM() | votca::xtp::KMCMultiple | privatevirtual |
seed_ | votca::xtp::KMCCalculator | protected |
setnThreads(Index nThreads) | votca::tools::Calculator | inline |
temperature_ | votca::xtp::KMCCalculator | protected |
timefile_ | votca::xtp::KMCMultiple | private |
trajectoryfile_ | votca::xtp::KMCCalculator | protected |
WriteOccupationtoFile(double simtime, std::string filename) | votca::xtp::KMCCalculator | protected |
WriteRatestoFile(std::string filename, const QMNBList &nblist) | votca::xtp::KMCCalculator | protected |
WriteToEnergyFile(std::fstream &tfile, double simtime, unsigned long step) const | votca::xtp::KMCMultiple | private |
WriteToStateFile() const | votca::xtp::KMCMultiple | inlinevirtual |
WriteToTrajectory(std::fstream &traj, std::vector< Eigen::Vector3d > &startposition, double simtime, unsigned long step) const | votca::xtp::KMCMultiple | private |
~Calculator()=default | votca::tools::Calculator | virtual |
~KMCCalculator() override=default | votca::xtp::KMCCalculator | |
~KMCMultiple()=default | votca::xtp::KMCMultiple | |
~QMCalculator() override=default | votca::xtp::QMCalculator | |