Here is a list of all class members with links to the classes they belong to:

A

B

C

D

E

F

G

H

I

J

K

L

M

N

O

P

Q

R

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T

U

V

W

X

Y

Z

_

~

- r -

• r : eonc::geometry::atom, TinyMatrix< Type >
• r_cut : EAM::element_parameters
• R_init : AtomicGPDimer, eonc::AtomicGPDimer
• radius : EMT
• RAList : BondBoost, eonc::BondBoost
• random_rotation : eonc::Parameters::metatomic_options_t, EonMtaConfig, Parameters::metatomic_options_t, RgpotMtaConfig
• random_rotation_ : MetatomicPotential
• randomMove() : eonc::GlobalOptimizationJob, GlobalOptimizationJob
• randomSeed : eonc::Parameters::main_options_t, Parameters::main_options_t
• randomSwap() : BasinHoppingJob, eonc::BasinHoppingJob
• rate : eonc::Parameters::prefactor_options_t, Parameters::prefactor_options_t
• ratio_at_limit : eonc::Parameters::gpr_dimer_options_t, Parameters::gpr_dimer_options_t
• raw() : eonc::VesinNeighbors
• raw_json : eonc::io::ConFrameMetadata
• rc_ : EAM, forcefields::SpceCcl::Water, Tip4p::Water
• rCut2 : NeighborList
• re_ : forcefields::Ccl
• reactant : BasinHoppingSaddleSearch, DynamicsSaddleSearch, eonc::BasinHoppingSaddleSearch, eonc::DynamicsSaddleSearch, eonc::ParallelReplicaJob, eonc::ReplicaDynamicsJob, ParallelReplicaJob, ReplicaDynamicsJob
• reactant_filename : eonc::Parameters::oh_tst_options_t, Parameters::oh_tst_options_t
• reactant_md_steps : eonc::Parameters::oh_tst_options_t, Parameters::oh_tst_options_t
• reactantEnergy : BGSDObjectiveFunction, BiasedGradientSquaredDescent, eonc::BiasedGradientSquaredDescent, eonc::MinModeSaddleSearch, MinModeSaddleSearch
• reactantQRatio() : eonc::OHTSTJob, OHTSTJob
• readFile() : AMS
• readFU() : VASP
• realunits : LAMMPSPot
• recieveFromSystem() : AMS, AMS_IO, ExtPot
• recomputeFreeMask : eonc::Matter, Matter
• recomputeMaskedForces : eonc::Matter, Matter
• recomputePotential : eonc::Matter, Matter
• record_interval : eonc::Parameters::parallel_replica_options_t, eonc::Parameters::saddle_search_options_t::dynamics_t, Parameters::parallel_replica_options_t, Parameters::saddle_search_options_t::dynamics_t
• record_interval_input : eonc::Parameters::parallel_replica_options_t, eonc::Parameters::saddle_search_options_t::dynamics_t, Parameters::parallel_replica_options_t, Parameters::saddle_search_options_t::dynamics_t
• recv_exact() : SocketNWChemPot
• recv_header() : SocketNWChemPot
• referencePositions : NeighborList
• refine : eonc::Parameters::optimizer_options_t, eonc::ReplicaDynamicsJob, Parameters::optimizer_options_t, ReplicaDynamicsJob
• refine_transition : eonc::Parameters::parallel_replica_options_t, Parameters::parallel_replica_options_t
• refineFCalls : eonc::ReplicaDynamicsJob, ReplicaDynamicsJob
• refineTransition() : DynamicsSaddleSearch, eonc::DynamicsSaddleSearch, eonc::ParallelReplicaJob, ParallelReplicaJob
• registerGPRObject() : GPRPotential
• relax() : eonc::Matter, Matter
• relax_conv_angle : eonc::Parameters::gpr_dimer_options_t, Parameters::gpr_dimer_options_t
• relax_rotations_max : eonc::Parameters::gpr_dimer_options_t, Parameters::gpr_dimer_options_t
• release() : eonc::VesinNeighbors
• remove_rotation : eonc::Parameters::dimer_options_t, eonc::Parameters::saddle_search_options_t, Parameters::dimer_options_t, Parameters::saddle_search_options_t
• remove_translation : eonc::Parameters::structure_comparison_options_t, Parameters::structure_comparison_options_t
• removeNetForce : eonc::Matter, eonc::Parameters::main_options_t, Matter, Parameters::main_options_t
• removeStaleFiles() : VASP
• removeZeroFreqs() : eonc::Hessian, Hessian
• ReNormalizePosition() : Atoms
• replica_exchange_options : eonc::Parameters, Parameters
• replicas : eonc::Parameters::replica_exchange_options_t, eonc::Parameters::serve_options_t, Parameters::replica_exchange_options_t, Parameters::serve_options_t
• report() : eonc::GlobalOptimizationJob, GlobalOptimizationJob
• report_level : eonc::Parameters::gpr_dimer_options_t::debug_params_t, Parameters::gpr_dimer_options_t::debug_params_t
• reportResults() : eonc::ReplicaDynamicsJob, eonc::SafeHyperJob, eonc::TADJob, ReplicaDynamicsJob, SafeHyperJob, TADJob
• reqFd : LAMMPSPot
• require_loaded() : eonc::ARTnResource, eonc::IRAResource, eonc::LammpsLoader, eonc::MetatomicLoader
• requiresIsolatedMoleculeLayout() : ASENwchemPot, ASEOrcaPot, eonc::Potential, Potential, RgpotPot, SocketNWChemPot
• res : XTBPot
• rescaleVelocity() : Dynamics, eonc::Dynamics
• reset() : eonc::LBFGS, eonc::PotRegistry, LBFGS, PotRegistry
• resetForceCalls() : eonc::Matter, Matter
• resetStability() : eonc::neb::OCINEBController
• resFd : LAMMPSPot
• resize() : eonc::Matter, Matter
• resources : AMS, eonc::Parameters::ams_options_t, Parameters::ams_options_t
• restartFrom : AMS
• restore_fpe() : eonc::FPEHandler
• restrainAngle() : forcefields::PotentialBase
• restrainLength() : forcefields::PotentialBase
• resume : eonc::Parameters::hessian_options_t, Parameters::hessian_options_t
• retain_climb_frames_ : eonc::MinModeSaddleSearch, MinModeSaddleSearch
• retainExchangeDir : ExtPot
• return_distances : eonc::VesinNeighbors::Options
• return_shifts : eonc::VesinNeighbors::Options
• return_vectors : eonc::VesinNeighbors::Options
• returnFiles : BasinHoppingJob, DynamicsJob, eonc::BasinHoppingJob, eonc::DynamicsJob, eonc::GPSurrogateJob, eonc::NudgedElasticBandJob, eonc::ParallelReplicaJob, eonc::ProcessSearchJob, eonc::ReplicaDynamicsJob, eonc::ReplicaExchangeJob, eonc::SaddleSearchJob, GPSurrogateJob, NudgedElasticBandJob, ParallelReplicaJob, ProcessSearchJob, ReplicaDynamicsJob, ReplicaExchangeJob, SaddleSearchJob
• rFermi : EMT
• rgpot_options : eonc::Parameters, Parameters
• RgpotAdapter() : RgpotAdapter< RPot >
• RGPotEngine() : RGPotEngine
• RgpotPot() : RgpotPot
• rh1_ : forcefields::SpceCcl::Water, Tip4p::Water
• rh2_ : forcefields::SpceCcl::Water, Tip4p::Water
• rhh_ : forcefields::SpceCcl
• rho : eonc::ImprovedDimer, ImprovedDimer
• Rm : EAM::element_parameters
• rMax : CellList, NeighborList
• rMax2 : CellList
• rmd_time : eonc::Parameters::hyperdynamics_options_t, Parameters::hyperdynamics_options_t
• rmd_time_input : eonc::Parameters::hyperdynamics_options_t, Parameters::hyperdynamics_options_t
• Rmdsteps() : BondBoost, eonc::BondBoost
• rmdSteps() : BondBoost, eonc::BondBoost
• rn_ : Tip4p::Water
• rNbCut : EMT
• ro1_2_ro2_2() : forcefields::Ccl
• ro1_ro2() : forcefields::Ccl
• ro1_ro2_ro_2() : forcefields::Ccl
• ro1_ro2_theta() : forcefields::Ccl
• ro1_ro2_theta_2() : forcefields::Ccl
• ro_ : forcefields::SpceCcl::Water, Tip4p::Water
• ro_2() : forcefields::Ccl
• ro_2_theta() : forcefields::Ccl
• ro_2_theta_2() : forcefields::Ccl
• ro_3() : forcefields::Ccl
• ro_3_theta() : forcefields::Ccl
• ro_4() : forcefields::Ccl
• ro_ro1_ro2() : forcefields::Ccl
• ro_ro1_ro2_theta() : forcefields::Ccl
• ro_theta() : forcefields::Ccl
• ro_theta_2() : forcefields::Ccl
• roh_ : forcefields::SpceCcl
• rot_opt_method : eonc::Parameters::gpr_dimer_options_t, Parameters::gpr_dimer_options_t
• rotate() : Dimer, eonc::Dimer
• rotation : eonc::IRACompare::MatchResult, IRACompare::MatchResult
• rotation_angle : eonc::Parameters::dimer_options_t, eonc::Parameters::gpr_dimer_options_t, Parameters::dimer_options_t, Parameters::gpr_dimer_options_t
• rotation_backend : eonc::Parameters::dimer_options_t, Parameters::dimer_options_t
• rotationalPlane : AtomicGPDimer, Dimer, eonc::AtomicGPDimer, eonc::Dimer
• rotationDidConverge : eonc::ImprovedDimer, ImprovedDimer
• rotations : eonc::DimerRotationResult
• rotations_max : eonc::Parameters::dimer_options_t, Parameters::dimer_options_t
• rotations_min : eonc::Parameters::dimer_options_t, Parameters::dimer_options_t
• rotNorm : eonc::OHTSTJob::PlaneAverages, OHTSTJob::PlaneAverages
• rotRaw : eonc::OHTSTJob::PlaneAverages, OHTSTJob::PlaneAverages
• rPrev : eonc::ImprovedDimer, ImprovedDimer
• run() : ARTnSaddleSearch, BasinHoppingJob, BasinHoppingSaddleSearch, BiasedGradientSquaredDescent, ConjugateGradients, Dynamics, DynamicsJob, DynamicsSaddleSearch, eonc::ARTnSaddleSearch, eonc::BasinHoppingJob, eonc::BasinHoppingSaddleSearch, eonc::BiasedGradientSquaredDescent, eonc::ConjugateGradients, eonc::Dynamics, eonc::DynamicsJob, eonc::DynamicsSaddleSearch, eonc::FiniteDifferenceJob, eonc::FIRE, eonc::GlobalOptimization, eonc::GlobalOptimizationJob, eonc::GPSurrogateJob, eonc::HessianJob, eonc::Job, eonc::LBFGS, eonc::MinimizationJob, eonc::MinModeSaddleSearch, eonc::MonteCarlo, eonc::MonteCarloJob, eonc::neb::OCINEBController, eonc::NudgedElasticBandJob, eonc::OHTSTJob, eonc::Optimizer, eonc::ParallelReplicaJob, eonc::PointJob, eonc::PrefactorJob, eonc::ProcessSearchJob, eonc::Quickmin, eonc::ReplicaDynamicsJob, eonc::ReplicaExchangeJob, eonc::SaddleSearchJob, eonc::SaddleSearchMethod, eonc::SteepestDescent, eonc::StructureComparisonJob, eonc::TestJob, FiniteDifferenceJob, FIRE, GlobalOptimization, GlobalOptimizationJob, GPSurrogateJob, HessianJob, Job, LBFGS, MinimizationJob, MinModeSaddleSearch, MonteCarlo, MonteCarloJob, NudgedElasticBandJob, OHTSTJob, Optimizer, ParallelReplicaJob, PointJob, PrefactorJob, ProcessSearchJob, Quickmin, ReplicaDynamicsJob, ReplicaExchangeJob, SaddleSearchJob, SaddleSearchMethod, SteepestDescent, StructureComparisonJob, TestJob
• runAMS() : AMS
• runDimer() : eonc::neb::OCINEBController
• runFromMatter() : eonc::GPSurrogateJob, eonc::ParallelReplicaJob, eonc::ReplicaDynamicsJob, eonc::ReplicaExchangeJob, GPSurrogateJob, ParallelReplicaJob, ReplicaDynamicsJob, ReplicaExchangeJob
• runRetainFrames() : eonc::MinModeSaddleSearch, MinModeSaddleSearch
• runWorkerLoop() : LAMMPSPot