eOn 3.2.0
Long-timescale dynamics: aKMC, NEB, parallel replica
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_
- s -
s :
eonc::ImprovedDimer
,
eonc::piqtst::Plane
,
eonc::piqtst::RecrossingOptions
s0 :
eonc::tunneling::Instanton
s_ :
eonc::tunneling::Profile
s_init :
eonc::oh_tst_options_t
saddle :
eonc::BasinHoppingSaddleSearch
,
eonc::BiasedGradientSquaredDescent
,
eonc::DynamicsSaddleSearch
,
eonc::ProcessSearchJob
,
eonc::ReplicaDynamicsJob
,
eonc::SaddleSearchJob
saddle_filename :
eonc::instanton_options_t
saddle_search_options_ :
eonc::Parameters::Impl
saddleSearch :
eonc::ProcessSearchJob
,
eonc::SaddleSearchJob
sample_steps :
eonc::oh_tst_options_t
sampling_time :
eonc::replica_exchange_options_t
sampling_time_input :
eonc::replica_exchange_options_t
scalars :
eonc::io::ConFrameMetadata
scale_ratio :
eonc::saddle_search_options_t::confine_positive_t
scan_planes :
eonc::oh_tst_options_t
scatter_atoms :
eonc::ILammpsLoader
scf_maxiter :
eonc::ase_nwchem_options_t
scf_thresh :
eonc::ase_nwchem_options_t
scf_type :
eonc::rgpot_options_t
,
RGPotEngineOptions
schema_id :
eonc::xtsci_eindir::View
scm_pythondir :
eonc::ams_options_t::env_t
scm_tmpdir :
eonc::ams_options_t::env_t
scmlicense :
eonc::ams_options_t::env_t
scratch_dir :
eonc::rgpot_options_t
,
RGPotEngineOptions
screenAtoms_ :
LAMMPSPot
screenBox_ :
LAMMPSPot
screenHaveGeom_ :
LAMMPSPot
sd :
eonc::optimizer_options_t
secant :
eonc::optimizer_options_t::lbfgs_t
seed :
eonc::pathintegral::Options
,
eonc::piqtst::RecrossingOptions
,
eonc::piqtst::ScanOptions
seq :
emt_parameters
serve_options_ :
eonc::Parameters::Impl
server_address :
SocketNWChemPot
set_param_ :
eonc::ARTnResource
setup_artn_ :
eonc::ARTnResource
shell0 :
EMTDefaultParameterProvider
shell1 :
EMTDefaultParameterProvider
shouldResetOptimizer :
eonc::neb::OCINEBController::MMFResult
sidpp_alpha :
eonc::neb_options_t::path_initialization_t
sidpp_frontier_tol :
eonc::neb_options_t::path_initialization_t
sidpp_ideal_ksp :
eonc::neb_options_t::path_initialization_t
sidpp_reparam :
eonc::neb_options_t::path_initialization_t
sigma1 :
EMT
sigma2 :
EMT
,
eonc::gpr_dimer_options_t::gpr_params_t
sigma2isvalid :
EMT
sigma_ :
forcefields::SpceCcl
SIGMA_PT :
forcefields::PotentialBase
sigmaH_ :
forcefields::zhu_philpott_parameters::Iceland
,
forcefields::zhu_philpott_parameters::Standard
sigmaHPt_ :
forcefields::zhu_philpott_parameters::Iceland
,
forcefields::zhu_philpott_parameters::Standard
sigmaO_ :
forcefields::zhu_philpott_parameters::Iceland
,
forcefields::zhu_philpott_parameters::Standard
sigmaOPt_ :
forcefields::zhu_philpott_parameters::Iceland
,
forcefields::zhu_philpott_parameters::Standard
significant_structure :
eonc::basin_hopping_options_t
simpleinput :
eonc::ase_orca_options_t
single_atom_displace :
eonc::basin_hopping_options_t
size :
CellList
skin :
eonc::VesinNeighbors::Options
so3_probe_scatter :
RgpotMtaConfig
socket_nwchem_options_ :
eonc::Parameters::Impl
solid_state :
eonc::neb_options_t
solidJacobian_ :
eonc::NudgedElasticBand
solidState_ :
eonc::NudgedElasticBand
sorted :
eonc::VesinNeighbors::Options
spacing :
eonc::piqtst::RecrossingOptions
spin :
eonc::mopac_options_t
spread :
eonc::piqtst::Plane
spreads :
eonc::io::ConFrameMetadata
spring :
eonc::neb_options_t
springConstants :
eonc::neb::WeightedSpring
springResult :
eonc::neb::ImageForceData
springs :
eonc::instanton_options_t
,
eonc::pathintegral::Options
stability_count :
eonc::neb_options_t::zoom_options_t
state_check :
eonc::ReplicaDynamicsJob::PrdClock
state_check_interval :
eonc::parallel_replica_options_t
,
eonc::saddle_search_options_t::dynamics_t
state_check_interval_input :
eonc::parallel_replica_options_t
,
eonc::saddle_search_options_t::dynamics_t
statsAngle :
eonc::LowestEigenmode
statsCurvature :
eonc::LowestEigenmode
statsRotations :
eonc::LowestEigenmode
statsTorque :
eonc::LowestEigenmode
status :
eonc::ARTnSaddleSearch
,
eonc::BasinHoppingSaddleSearch
,
eonc::BiasedGradientSquaredDescent
,
eonc::DynamicsSaddleSearch
,
eonc::MinimizationJob
,
eonc::MinModeSaddleSearch
,
eonc::NEBObjectiveFunction
,
eonc::NudgedElasticBand
STATUS_BAD_ARTN_ERROR :
eonc::ARTnSaddleSearch
STATUS_BAD_MAX_ITERATIONS :
eonc::ARTnSaddleSearch
status_code :
eonc::JobResultEnvelope
STATUS_GOOD :
eonc::ARTnSaddleSearch
status_text :
eonc::JobResultEnvelope
steepest_descent :
eonc::optimizer_options_t::quickmin_t
step :
eonc::optimizer_options_t::lbfgs_t
step_size :
eonc::monte_carlo_options_t
steps :
eonc::basin_hopping_options_t
,
eonc::dynamics_options_t
,
eonc::DynamicsConfig
,
eonc::global_optimization_options_t
,
eonc::monte_carlo_options_t
,
eonc::piqtst::RecrossingOptions
stop_energy :
eonc::basin_hopping_options_t
stopped_ :
RgpotPot
stress :
EMT
stress_ :
LAMMPSPot
,
RgpotAdapter< RPot >
,
SocketNWChemPot
,
XTBPot
stresses :
EMT
strings :
eonc::io::ConFrameMetadata
structComp :
eonc::Matter
STRUCTURE_COMPARISON_BRUTE_NEIGHBORS :
eonc::params_ssot::GeneratedDefaults
STRUCTURE_COMPARISON_CHECK_ROTATION :
eonc::params_ssot::GeneratedDefaults
STRUCTURE_COMPARISON_COVALENT_SCALE :
eonc::params_ssot::GeneratedDefaults
STRUCTURE_COMPARISON_DISTANCE_DIFFERENCE :
eonc::params_ssot::GeneratedDefaults
STRUCTURE_COMPARISON_ENERGY_DIFFERENCE :
eonc::params_ssot::GeneratedDefaults
STRUCTURE_COMPARISON_INDISTINGUISHABLE_ATOMS :
eonc::params_ssot::GeneratedDefaults
STRUCTURE_COMPARISON_NEIGHBOR_CUTOFF :
eonc::params_ssot::GeneratedDefaults
structure_comparison_options_ :
eonc::Parameters::Impl
STRUCTURE_COMPARISON_REMOVE_TRANSLATION :
eonc::params_ssot::GeneratedDefaults
STRUCTURE_COMPARISON_USE_COVALENT :
eonc::params_ssot::GeneratedDefaults
sub_job :
eonc::gp_surrogate_options_t
subtractE0 :
EMT
superCell :
Atoms
,
CellList
superCellHeights :
CellList
SuperCellObj :
EffectiveMediumTheory
swap_count :
eonc::BasinHoppingJob
swap_probability :
eonc::basin_hopping_options_t
switchingWidth_ :
forcefields::PotentialBase
symmetricEnough :
eonc::tunneling::Instanton
symmetry_products :
eonc::oh_tst_options_t
symmetry_threshold :
eonc::ira_options_t
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