SSAGES  0.9.3
Software Suite for Advanced General Ensemble Simulations
SSAGES::ElasticBand Member List

This is the complete list of members for SSAGES::ElasticBand, including all inherited members.

Build(const Json::Value &json, const MPI_Comm &world, const MPI_Comm &comm, const std::string &path)SSAGES::StringMethodstatic
BuildMethod(const Json::Value &json, const MPI_Comm &world, const MPI_Comm &comm, const std::string &path)SSAGES::Methodstatic
centers_SSAGES::StringMethodprotected
CheckEnd(const CVList &CV)SSAGES::StringMethodprotected
comm_SSAGES::Methodprotected
cvmask_SSAGES::Methodprotected
cvspring_SSAGES::StringMethodprotected
distance(const std::vector< double > &x, const std::vector< double > &y) constSSAGES::StringMethodinlineprotected
ElasticBand(const MPI_Comm &world, const MPI_Comm &comm, const std::vector< double > &centers, unsigned int maxiterations, unsigned int nsamples, double tau, const std::vector< double > cvspring, unsigned int equilibrate, unsigned int evolution, double stringspring, unsigned int frequency)SSAGES::ElasticBandinline
equilibrate_SSAGES::ElasticBandprivate
EventListener(unsigned int frequency)SSAGES::EventListenerinline
evolution_SSAGES::ElasticBandprivate
frequency_SSAGES::EventListenerprivate
GatherNeighbors(std::vector< double > *lcv0, std::vector< double > *ucv0)SSAGES::StringMethodprotected
GetFrequency() constSSAGES::EventListenerinline
GetNumWalkers(const MPI_Comm &world, const MPI_Comm &comm)SSAGES::EventListenerinlinestatic
GetWalkerID(const MPI_Comm &world, const MPI_Comm &comm)SSAGES::EventListenerinlinestatic
IsMasterRank(const MPI_Comm &comm)SSAGES::EventListenerinlinestatic
iteration_SSAGES::StringMethodprotected
iterator_SSAGES::StringMethodprotected
maxiterator_SSAGES::StringMethodprotected
Method(unsigned int frequency, const MPI_Comm &world, const MPI_Comm &comm)SSAGES::Methodinline
mpiid_SSAGES::StringMethodprotected
newcenters_SSAGES::StringMethodprotected
nsampled_SSAGES::ElasticBandprivate
nsamples_SSAGES::ElasticBandprivate
numnodes_SSAGES::StringMethodprotected
PostIntegration(Snapshot *snapshot, const class CVManager &cvmanager) overrideSSAGES::ElasticBandvirtual
PostSimulation(Snapshot *snapshot, const class CVManager &cvmanager) overrideSSAGES::StringMethodvirtual
PreSimulation(Snapshot *snapshot, const class CVManager &cvmanager) overrideSSAGES::StringMethodvirtual
prev_IDs_SSAGES::StringMethodprotected
prev_positions_SSAGES::StringMethodprotected
prev_velocities_SSAGES::StringMethodprotected
PrintString(const CVList &CV)SSAGES::StringMethodprotected
recneigh_SSAGES::StringMethodprotected
sendneigh_SSAGES::StringMethodprotected
SetCVMask(const std::vector< unsigned int > &mask)SSAGES::Methodinline
SetSendRecvNeighbors()SSAGES::StringMethod
SetTolerance(std::vector< double > tol)SSAGES::StringMethodinline
StringMethod(const MPI_Comm &world, const MPI_Comm &comm, const std::vector< double > &centers, unsigned int maxiterations, const std::vector< double > cvspring, unsigned int frequency)SSAGES::StringMethodinline
stringout_SSAGES::StringMethodprotected
StringReparam(double alpha_star)SSAGES::StringMethodprotected
stringspring_SSAGES::ElasticBandprivate
StringUpdate() overrideSSAGES::ElasticBandprivatevirtual
tau_SSAGES::ElasticBandprivate
tol_SSAGES::StringMethodprotected
TolCheck() constSSAGES::StringMethodinlineprotected
UpdateWorldString(const CVList &cvs)SSAGES::StringMethodprotected
world_SSAGES::Methodprotected
worldstring_SSAGES::StringMethodprotected
~ElasticBand()SSAGES::ElasticBandinline
~EventListener()SSAGES::EventListenerinlinevirtual
~Method()SSAGES::Methodinlinevirtual
~StringMethod()SSAGES::StringMethodinlinevirtual
Generated on Fri Jun 4 2021 17:28:53 for SSAGES by doxygen 1.9.1