eOn 3.2.0
Long-timescale dynamics: aKMC, NEB, parallel replica
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_
~
- r -
r :
eonc::geometry::atom
,
TinyMatrix< Type >
r_cut :
EAM::element_parameters
R_init :
eonc::AtomicGPDimer
radius :
EMT
RAList :
eonc::BondBoost
random_rotation :
eonc::metatomic_options_t
,
EonMtaConfig
,
RgpotMtaConfig
random_rotation_ :
MetatomicPotential
random_seed :
eonc::JobResultEnvelope
randomMove() :
eonc::GlobalOptimizationJob
randomSeed :
eonc::main_options_t
randomSwap() :
eonc::BasinHoppingJob
ranks_per_image :
eonc::rgpot_options_t
,
RGPotEngineOptions
rate :
eonc::prefactor_options_t
,
eonc::tunneling::RateInstanton
ratio_at_limit :
eonc::gpr_dimer_options_t
raw() :
eonc::VesinNeighbors
raw_json :
eonc::io::ConFrameMetadata
rc_ :
EAM
,
forcefields::SpceCcl::Water
,
forcefields::Tip4p::Water
rCut2 :
NeighborList
re_ :
forcefields::Ccl
reactant :
eonc::BasinHoppingSaddleSearch
,
eonc::DynamicsSaddleSearch
,
eonc::ParallelReplicaJob
,
eonc::piqtst::Rate
,
eonc::ReplicaDynamicsJob
reactant_filename :
eonc::instanton_options_t
,
eonc::oh_tst_options_t
reactant_md_steps :
eonc::oh_tst_options_t
reactantEnergy :
eonc::BGSDObjectiveFunction
,
eonc::BiasedGradientSquaredDescent
,
eonc::MinModeSaddleSearch
,
eonc::NudgedElasticBand
reactantQRatio() :
eonc::OHTSTJob
readFU() :
VASP
realunits :
LAMMPSPot
recieveFromSystem() :
AMS
,
AMS_IO
,
ExtPot
recomputeFreeMask :
eonc::Matter
recomputeMaskedForces :
eonc::Matter
recomputePotential :
eonc::Matter
record :
eonc::ReplicaDynamicsJob::PrdClock
record_interval :
eonc::parallel_replica_options_t
,
eonc::saddle_search_options_t::dynamics_t
record_interval_input :
eonc::parallel_replica_options_t
,
eonc::saddle_search_options_t::dynamics_t
record_load() :
eonc::Parameters
recorded_ :
eonc::pathintegral::RingPolymer
recv_exact() :
SocketNWChemPot
recv_header() :
SocketNWChemPot
reference :
eonc::piqtst::Coordinate
referenceEnergy :
eonc::tunneling::Splitting
referencePositions :
NeighborList
refine :
eonc::optimizer_options_t
,
eonc::ReplicaDynamicsJob
refine_transition :
eonc::parallel_replica_options_t
refineFCalls :
eonc::ReplicaDynamicsJob
refineTransition() :
eonc::DynamicsSaddleSearch
,
eonc::ParallelReplicaJob
registerGPRObject() :
GPRPotential
registry_ :
eonc::Potential
relax() :
eonc::Matter
relax_conv_angle :
eonc::gpr_dimer_options_t
relax_rotations_max :
eonc::gpr_dimer_options_t
release() :
eonc::VesinNeighbors
releasePotential() :
eonc::Job
releaseWorkersAtExit() :
RgpotPot
remove_rotation :
eonc::dimer_options_t
,
eonc::saddle_search_options_t
remove_translation :
eonc::StructureComparisonOptions
removeNetForce :
eonc::main_options_t
,
eonc::Matter
removeStaleFiles() :
VASP
removeZeroFreqs() :
eonc::Hessian
ReNormalizePosition() :
Atoms
replica_exchange_options() :
eonc::Parameters
,
eonc::ParametersLoadAccess
replica_exchange_options_ :
eonc::Parameters::Impl
replica_exchange_options_t :
eonc::Parameters
replicas :
eonc::replica_exchange_options_t
,
eonc::serve_options_t
report() :
eonc::GlobalOptimizationJob
report_level :
eonc::gpr_dimer_options_t::debug_params_t
reportResults() :
eonc::ReplicaDynamicsJob
,
eonc::SafeHyperJob
,
eonc::TADJob
reqFd :
LAMMPSPot
require_loaded() :
eonc::ARTnResource
,
eonc::IARTnResource
,
eonc::IIRAResource
,
eonc::ILammpsLoader
,
eonc::IMetatomicLoader
,
eonc::IRAResource
,
eonc::LammpsLoader
,
eonc::MetatomicLoader
requiresIsolatedMoleculeLayout() :
ASENwchemPot
,
ASEOrcaPot
,
eonc::Potential
,
RgpotAdapter< RPot >
,
RgpotPot
,
SocketNWChemPot
res :
XTBPot
rescaleVelocity() :
eonc::Dynamics
reset() :
eonc::LBFGS
,
eonc::PotRegistry
resetAverages() :
eonc::pathintegral::RingPolymer
resetForceCalls() :
eonc::Matter
resetStability() :
eonc::neb::OCINEBController
resFd :
LAMMPSPot
resize() :
eonc::Matter
resources :
AMS
,
eonc::ams_options_t
restartFrom :
AMS
restore_fpe() :
eonc::FPEHandler
restore_unhelpful :
eonc::neb::OCINEBController::Config
,
eonc::neb_options_t::climbing_image_options_t::hybrid_dimer_t
restoreFileForces() :
eonc::Matter
restrainAngle() :
forcefields::PotentialBase
restrainLength() :
forcefields::PotentialBase
resume :
eonc::hessian_options_t
retain_climb_frames_ :
eonc::MinModeSaddleSearch
retainExchangeDir :
ExtPot
return_distances :
eonc::VesinNeighbors::Options
return_shifts :
eonc::VesinNeighbors::Options
return_vectors :
eonc::VesinNeighbors::Options
returnFiles :
eonc::BasinHoppingJob
,
eonc::GPSurrogateJob
,
eonc::NudgedElasticBandJob
,
eonc::ParallelReplicaJob
,
eonc::ProcessSearchJob
,
eonc::ReplicaDynamicsJob
,
eonc::ReplicaExchangeJob
,
eonc::SaddleSearchJob
rFermi :
EMT
rgpot_options() :
eonc::Parameters
,
eonc::ParametersLoadAccess
rgpot_options_ :
eonc::Parameters::Impl
rgpot_options_t :
eonc::Parameters
RgpotAdapter() :
RgpotAdapter< RPot >
RGPotEngine() :
RGPotEngine
RgpotPot() :
RgpotPot
rh1_ :
forcefields::SpceCcl::Water
,
forcefields::Tip4p::Water
rh2_ :
forcefields::SpceCcl::Water
,
forcefields::Tip4p::Water
rhh_ :
forcefields::SpceCcl
rho :
eonc::ImprovedDimer
rigidReference :
eonc::tunneling::RateInstantonOptions
rigidRotations :
eonc::tunneling::RateInstantonOptions
rigidSqrtMasses :
eonc::tunneling::RateInstantonOptions
ring :
eonc::piqtst::RecrossingOptions
,
eonc::piqtst::ScanOptions
RingPolymer() :
eonc::pathintegral::RingPolymer
ringPotential :
eonc::tunneling::RateInstanton
Rm :
EAM::element_parameters
rMax :
CellList
,
NeighborList
rMax2 :
CellList
rmd_time :
eonc::hyperdynamics_options_t
rmd_time_input :
eonc::hyperdynamics_options_t
Rmdsteps() :
eonc::BondBoost
rmdSteps() :
eonc::BondBoost
rn_ :
forcefields::Tip4p::Water
rNbCut :
EMT
rng_ :
eonc::pathintegral::RingPolymer
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
,
forcefields::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::gpr_dimer_options_t
rotate() :
eonc::Dimer
rotation :
eonc::IRACompare::MatchResult
rotation_angle :
eonc::dimer_options_t
,
eonc::gpr_dimer_options_t
rotation_backend :
eonc::dimer_options_t
rotationalPlane :
eonc::AtomicGPDimer
,
eonc::Dimer
rotationDidConverge :
eonc::ImprovedDimer
rotations :
eonc::DimerRotationResult
rotations_max :
eonc::dimer_options_t
rotations_min :
eonc::dimer_options_t
rotNorm :
eonc::OHTSTJob::PlaneAverages
rotRaw :
eonc::OHTSTJob::PlaneAverages
rPrev :
eonc::ImprovedDimer
run() :
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::InstantonJob
,
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
,
eonc::XtsciOptimizer
,
XtsciOptimizer
runAMS() :
AMS
runDimer() :
eonc::neb::OCINEBController
runFromMatter() :
eonc::GPSurrogateJob
,
eonc::ParallelReplicaJob
,
eonc::ProcessSearchJob
,
eonc::ReplicaDynamicsJob
,
eonc::ReplicaExchangeJob
,
eonc::SaddleSearchJob
runPathIntegral() :
eonc::Dynamics
runPrepared() :
eonc::ProcessSearchJob
,
eonc::SaddleSearchJob
runRetainFrames() :
eonc::MinModeSaddleSearch
Runtime :
eonc::ARTnResource
,
eonc::IRAResource
,
eonc::MetatomicLoader
,
eonc::PluginLoader
,
eonc::Runtime
runtime_ :
eonc::Job
runWorkerLoop() :
LAMMPSPot
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