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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 :
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
randomSeed :
eonc::Parameters::main_options_t
,
Parameters::main_options_t
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_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
realunits :
LAMMPSPot
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
referencePositions :
NeighborList
refine :
eonc::Parameters::optimizer_options_t
,
Parameters::optimizer_options_t
refine_transition :
eonc::Parameters::parallel_replica_options_t
,
Parameters::parallel_replica_options_t
refineFCalls :
eonc::ReplicaDynamicsJob
,
ReplicaDynamicsJob
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
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
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_level :
eonc::Parameters::gpr_dimer_options_t::debug_params_t
,
Parameters::gpr_dimer_options_t::debug_params_t
reqFd :
LAMMPSPot
res :
XTBPot
resFd :
LAMMPSPot
resources :
AMS
,
eonc::Parameters::ams_options_t
,
Parameters::ams_options_t
restartFrom :
AMS
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
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
rn_ :
Tip4p::Water
rNbCut :
EMT
ro_ :
forcefields::SpceCcl::Water
,
Tip4p::Water
roh_ :
forcefields::SpceCcl
rot_opt_method :
eonc::Parameters::gpr_dimer_options_t
,
Parameters::gpr_dimer_options_t
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
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