eOn 3.2.0
Long-timescale dynamics: aKMC, NEB, parallel replica
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Here is a list of all class members with links to the classes they belong to:
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- g -
gamma :
eonc::ImprovedDimer
gamma1 :
emt_parameters
gamma2 :
emt_parameters
gateway_port :
eonc::serve_options_t
gauss() :
eonc::pathintegral::RingPolymer
gaussDraw() :
eonc::OHTSTJob
generate_run() :
AMS
get() :
eonc::PotRegistry
get_artn_fn() :
eonc::ARTnResource
,
eonc::IARTnResource
get_artn_step_fn() :
eonc::ARTnResource
,
eonc::IARTnResource
get_compute_all_fn() :
eonc::IIRAResource
,
eonc::IRAResource
get_create_fn() :
eonc::ARTnResource
,
eonc::IARTnResource
get_cshda_pbc_fn() :
eonc::IIRAResource
,
eonc::IRAResource
get_data_ :
eonc::ARTnResource
get_data_fn :
eonc::IARTnResource
get_destroy_fn() :
eonc::ARTnResource
,
eonc::IARTnResource
get_ef() :
eonc::Potential
get_ef_var() :
eonc::SurrogatePotential
get_element_parameters() :
EAM
get_error_ :
eonc::ARTnResource
get_error_fn :
eonc::IARTnResource
get_get_data_fn() :
eonc::ARTnResource
,
eonc::IARTnResource
get_get_error_fn() :
eonc::ARTnResource
,
eonc::IARTnResource
get_get_nmax_fn() :
eonc::IIRAResource
,
eonc::IRAResource
get_get_param_fn() :
eonc::ARTnResource
,
eonc::IARTnResource
get_get_runparam_fn() :
eonc::ARTnResource
,
eonc::IARTnResource
get_match_fn() :
eonc::IIRAResource
,
eonc::IRAResource
get_param_ :
eonc::ARTnResource
get_param_fn :
eonc::IARTnResource
get_print_caller_fn() :
eonc::ARTnResource
,
eonc::IARTnResource
get_runparam_ :
eonc::ARTnResource
get_runparam_fn :
eonc::IARTnResource
get_set_param_fn() :
eonc::ARTnResource
,
eonc::IARTnResource
get_setup_fn() :
eonc::ARTnResource
,
eonc::IARTnResource
getAccelerations() :
eonc::Matter
getAtomicNr() :
eonc::Matter
getAtomicNrs() :
eonc::Matter
getAtomicNrsFree() :
eonc::Matter
GetAtomicNumbers() :
Atoms
GetAtomicNumbersPtr() :
Atoms
getAtomIndex() :
eonc::Matter
GetBasis() :
SuperCell
getBiasForces() :
eonc::Matter
getBiasPotential() :
eonc::Matter
GetCartesianForces() :
AsapPotential
,
EMT
GetCartesianPositions() :
Atoms
getCell() :
eonc::Matter
GetChangeCounter() :
Atoms
GetChi() :
EMTDefaultParameterProvider
,
EMTParameterProvider
getConvergence() :
eonc::BGSDObjectiveFunction
,
eonc::CollectiveIDPPObjectiveFunction
,
eonc::IDPPObjectiveFunction
,
eonc::MinModeObjectiveFunction
,
eonc::NEBObjectiveFunction
,
eonc::ObjectiveFunction
,
eonc::ZBLRepulsiveIDPPObjective
getConvergenceH() :
eonc::BGSDObjectiveFunction
getConvergenceV() :
eonc::BGSDObjectiveFunction
getCutoff() :
forcefields::PotentialBase
GetCutoffDistance() :
EMTDefaultParameterProvider
,
EMTParameterProvider
GetCutoffRadius() :
AsapPotential
,
EMT
,
GhostPotential
GetCutoffSlope() :
EMTDefaultParameterProvider
,
EMTParameterProvider
GetData() :
AsapPotential
,
EMT
getDistanceMatrix() :
eonc::CollectiveIDPPObjectiveFunction
getEigenvalue() :
eonc::ARTnSaddleSearch
,
eonc::AtomicGPDimer
,
eonc::BasinHoppingSaddleSearch
,
eonc::BiasedGradientSquaredDescent
,
eonc::Davidson
,
eonc::Dimer
,
eonc::DynamicsSaddleSearch
,
eonc::ImprovedDimer
,
eonc::Lanczos
,
eonc::LORRotation
,
eonc::LowestEigenmode
,
eonc::MinModeSaddleSearch
,
eonc::SaddleSearchMethod
getEigenvector() :
eonc::ARTnSaddleSearch
,
eonc::AtomicGPDimer
,
eonc::BasinHoppingSaddleSearch
,
eonc::BiasedGradientSquaredDescent
,
eonc::Davidson
,
eonc::Dimer
,
eonc::DynamicsSaddleSearch
,
eonc::ImprovedDimer
,
eonc::Lanczos
,
eonc::LORRotation
,
eonc::LowestEigenmode
,
eonc::MinModeSaddleSearch
,
eonc::SaddleSearchMethod
getElements() :
eonc::BasinHoppingJob
getEnergy() :
eonc::BGSDObjectiveFunction
,
eonc::CollectiveIDPPObjectiveFunction
,
eonc::IDPPObjectiveFunction
,
eonc::MinModeObjectiveFunction
,
eonc::NEBObjectiveFunction
,
eonc::ObjectiveFunction
,
eonc::ZBLRepulsiveIDPPObjective
getEnergyDiff() :
eonc::TestJob
getEnergyVariance() :
eonc::Matter
getFixed() :
eonc::Matter
getFixedMask() :
eonc::Matter
getForceCalls() :
eonc::ARTnSaddleSearch
,
eonc::Matter
,
eonc::MinModeSaddleSearch
,
eonc::SaddleSearchMethod
getForceDiff() :
eonc::TestJob
getForces() :
eonc::Matter
getForcesFree() :
eonc::Matter
getForcesFreeV() :
eonc::Matter
getForcesRaw() :
eonc::Matter
getForcesV() :
eonc::Matter
getFree() :
eonc::Matter
getFreeV() :
eonc::Matter
getFreqs() :
eonc::Hessian
GetGhostPotential() :
GhostAtoms
getGradient() :
eonc::BGSDObjectiveFunction
,
eonc::CollectiveIDPPObjectiveFunction
,
eonc::IDPPObjectiveFunction
,
eonc::MinModeObjectiveFunction
,
eonc::NEBObjectiveFunction
,
eonc::ObjectiveFunction
,
eonc::ZBLRepulsiveIDPPObjective
getGradientnorm() :
eonc::BGSDObjectiveFunction
getHeaderCon() :
eonc::Matter
getHessian() :
eonc::Hessian
getIDPPForces() :
eonc::CollectiveIDPPObjectiveFunction
GetImage() :
NeighborList
getInitial() :
eonc::ProcessSearchJob
getIterationCount() :
eonc::ARTnSaddleSearch
,
eonc::MinModeSaddleSearch
,
eonc::SaddleSearchMethod
getKineticEnergy() :
eonc::Matter
GetLatticeConstant() :
AsapPotential
,
EMT
,
GhostPotential
GetLengthScale() :
EMTDefaultParameterProvider
,
EMTParameterProvider
GetList() :
NeighborList
GetListCutoffDistance() :
EMTDefaultParameterProvider
,
EMTParameterProvider
GetListOfElements() :
Atoms
getMass() :
eonc::Matter
getMasses() :
eonc::Matter
,
eonc::ObjectiveFunction
getMechanicalEnergy() :
eonc::Matter
GetMessage() :
Exception
getMin1() :
eonc::ProcessSearchJob
getMin2() :
eonc::ProcessSearchJob
getModes() :
eonc::Hessian
GetName() :
EMTRasmussenParameterProvider
getName() :
forcefields::Ccl
,
forcefields::SpceCcl
,
forcefields::Tip4p
,
forcefields::ZhuPhilpott< P >
GetNeighborList() :
EMT
GetNeighbors() :
CellList
,
NeighborList
GetNewParameters() :
EMTDefaultParameterProvider
,
EMTRasmussenParameterProvider
GetNumberOfAtoms() :
AsapPotential
,
Atoms
,
EMT
,
NeighborList
GetNumberOfElements() :
EMTDefaultParameterProvider
,
EMTParameterProvider
GetNumberOfGhosts() :
GhostAtoms
GetNumberOfImages() :
Atoms
GetNumberOfRealAtoms() :
Atoms
GetParameters() :
EMTDefaultParameterProvider
,
EMTParameterProvider
getPbcConvention() :
eonc::Matter
getPeriodic() :
eonc::Matter
,
eonc::ObjectiveFunction
getPosition() :
eonc::Matter
getPositions() :
eonc::BGSDObjectiveFunction
,
eonc::CollectiveIDPPObjectiveFunction
,
eonc::IDPPObjectiveFunction
,
eonc::Matter
,
eonc::MinModeObjectiveFunction
,
eonc::NEBObjectiveFunction
,
eonc::ObjectiveFunction
,
eonc::ZBLRepulsiveIDPPObjective
getPositionsCopy() :
eonc::Matter
getPositionsFree() :
eonc::Matter
getPositionsFreeV() :
eonc::Matter
GetPositionsPtr() :
Atoms
getPositionsV() :
eonc::Matter
GetPotential() :
Atoms
getPotential() :
eonc::Matter
getPotentialCalls() :
eonc::Matter
GetPotentialEnergies() :
AsapPotential
,
EMT
GetPotentialEnergy() :
AsapPotential
,
EMT
getPotentialEnergy() :
eonc::Matter
getSaddle() :
eonc::ProcessSearchJob
GetSigma1() :
EMT
GetSigma2() :
EMT
getStatus() :
eonc::ARTnSaddleSearch
,
eonc::BasinHoppingSaddleSearch
,
eonc::BiasedGradientSquaredDescent
,
eonc::DynamicsSaddleSearch
,
eonc::MinModeSaddleSearch
,
eonc::NudgedElasticBand
,
eonc::SaddleSearchMethod
getStep() :
eonc::ConjugateGradients
,
eonc::LBFGS
,
eonc::SteepestDescent
GetStress() :
AsapPotential
,
EMT
GetStresses() :
AsapPotential
,
EMT
GetSuperCell() :
Atoms
getSwitchingWidth() :
forcefields::PotentialBase
getType() :
eonc::Job
,
eonc::Potential
GetUnitCell() :
Atoms
GetUnwrappedPositions() :
Atoms
getVelocities() :
eonc::Matter
GetVolume() :
SuperCell
getWriteConForces() :
eonc::Matter
GFNMethod :
XTBPot
GhostAtoms() :
GhostAtoms
ghostatoms :
EMT
GhostPotential() :
GhostPotential
ghostPotential :
GhostAtoms
gle_ :
eonc::pathintegral::RingPolymer
gle_a_file :
eonc::oh_tst_options_t
gleFile :
eonc::pathintegral::Options
GleThermostat() :
eonc::GleThermostat
global_optimization_options() :
eonc::Parameters
,
eonc::ParametersLoadAccess
global_optimization_options_ :
eonc::Parameters::Impl
global_optimization_options_t :
eonc::Parameters
GlobalOptimization() :
eonc::GlobalOptimization
GlobalOptimizationJob() :
eonc::GlobalOptimizationJob
gp_surrogate_options() :
eonc::Parameters
,
eonc::ParametersLoadAccess
gp_surrogate_options_ :
eonc::Parameters::Impl
gp_surrogate_options_t :
eonc::Parameters
gpr_dimer_options() :
eonc::Parameters
,
eonc::ParametersLoadAccess
gpr_dimer_options_ :
eonc::Parameters::Impl
gpr_dimer_options_t :
eonc::Parameters
gpr_model :
GPRPotential
gpr_params :
eonc::gpr_dimer_options_t
GPRPotential() :
GPRPotential
GPSurrogateJob() :
eonc::GPSurrogateJob
grad2energy_convergence :
eonc::bgsd_options_t
grad2force_convergence :
eonc::bgsd_options_t
grad_file :
eonc::gpr_dimer_options_t::debug_params_t
gradient_finite_difference :
eonc::bgsd_options_t
gradient_sign :
eonc::xtsci_eindir::View
gradients :
eonc::ImprovedDimer
group :
RGPotEngine::Impl
groups :
RGPotEngine::Impl
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