eOn client
Long-timescale dynamics: aKMC, NEB, parallel replica
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Here is a list of all variables 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
_
- c -
c :
TinyMatrix< Type >
C10_H_ :
forcefields::zhu_philpott_parameters::Iceland
,
forcefields::zhu_philpott_parameters::Standard
C10_O_ :
forcefields::zhu_philpott_parameters::Iceland
,
forcefields::zhu_philpott_parameters::Standard
C_tau :
eonc::ImprovedDimer
,
ImprovedDimer
cached_mode_ :
eonc::neb::OCINEBController
calc :
ASENwchemPot
,
ASEOrcaPot
,
XTBPot
calculator :
ASE
can_restart :
AMS
capabilities_ :
MetatomicPotential
catlearn_options :
eonc::Parameters
,
Parameters
CBBLList :
BondBoost
,
eonc::BondBoost
cell :
eonc::Matter
,
Matter
cellIndices :
CellList
cellInverse :
eonc::Matter
,
Matter
celllist_new_ :
EAM
celllist_old_ :
EAM
cells :
CellList
centre_ :
forcefields::PotentialBase::ChargeGroup< N, R, F >
cfg_ :
eonc::neb::OCINEBController
cg :
eonc::Parameters::optimizer_options_t
,
Parameters::optimizer_options_t
charge :
eonc::Parameters::rgpot_options_t
,
eonc::Parameters::xtb_options_t
,
Parameters::rgpot_options_t
,
Parameters::xtb_options_t
,
RGPotEngineOptions
,
RgpotXtbConfig
,
XTBEngineOptions
charge2_ :
forcefields::SpceCcl
charge_ :
forcefields::SpceCcl
check_consistency :
eonc::Parameters::metatomic_options_t
,
eonc::Parameters::rgpot_options_t
,
EonMtaConfig
,
MetatomicEngineOptions
,
Parameters::metatomic_options_t
,
Parameters::rgpot_options_t
,
RGPotEngineOptions
,
RgpotMtaConfig
check_consistency_ :
MetatomicPotential
check_derivatives :
eonc::Parameters::gpr_dimer_options_t::opt_params_t
,
Parameters::gpr_dimer_options_t::opt_params_t
check_rotation :
eonc::Parameters::structure_comparison_options_t
,
Parameters::structure_comparison_options_t
checkpoint :
eonc::Parameters::main_options_t
,
Parameters::main_options_t
checkpoint_path :
eonc::Parameters::hessian_options_t
,
Parameters::hessian_options_t
chi :
EMT
,
EMTDefaultParameterProvider
ci_enabled_ :
eonc::NudgedElasticBand
,
NudgedElasticBand
ci_stability_count :
eonc::neb::OCINEBController::Config
,
eonc::Parameters::neb_options_t::climbing_image_options_t::hybrid_dimer_t
,
Parameters::neb_options_t::climbing_image_options_t::hybrid_dimer_t
ciStabilityCounter_ :
eonc::neb::OCINEBController
cjob :
AMS
climb_frames_ :
eonc::MinModeSaddleSearch
,
MinModeSaddleSearch
climbing_image :
eonc::Parameters::neb_options_t
,
Parameters::neb_options_t
climbingImage :
eonc::NudgedElasticBand
,
NudgedElasticBand
close :
eonc::LammpsLoader
coef :
EMT
command :
eonc::LammpsLoader
confidence :
eonc::Parameters::tad_options_t
,
Parameters::tad_options_t
configuration :
eonc::Parameters::prefactor_options_t
,
Parameters::prefactor_options_t
conFilename :
eonc::Parameters::main_options_t
,
Parameters::main_options_t
confine_positive :
eonc::Parameters::saddle_search_options_t
,
Parameters::saddle_search_options_t
conn_fd :
SocketNWChemPot
constant :
eonc::Parameters::neb_options_t::spring_options_t
,
Parameters::neb_options_t::spring_options_t
constants :
eonc::Parameters
,
Parameters
continuumelement :
EMT
conv_step :
eonc::Parameters::gpr_dimer_options_t
,
Parameters::gpr_dimer_options_t
converged :
eonc::DimerRotationResult
converged_angle :
eonc::Parameters::dimer_options_t
,
eonc::Parameters::gpr_dimer_options_t
,
Parameters::dimer_options_t
,
Parameters::gpr_dimer_options_t
converged_force :
eonc::Parameters::optimizer_options_t
,
eonc::Parameters::saddle_search_options_t
,
Parameters::optimizer_options_t
,
Parameters::saddle_search_options_t
converged_only :
eonc::Parameters::neb_options_t::climbing_image_options_t
,
Parameters::neb_options_t::climbing_image_options_t
convergedAfterMMF :
eonc::neb::OCINEBController::MMFResult
convergedOnResidual :
eonc::LORRotation
,
LORRotation
convergence_metric :
eonc::Parameters::optimizer_options_t
,
Parameters::optimizer_options_t
convergence_metric_label :
eonc::Parameters::optimizer_options_t
,
Parameters::optimizer_options_t
corr_time :
eonc::Parameters::parallel_replica_options_t
,
Parameters::parallel_replica_options_t
corr_time_input :
eonc::Parameters::parallel_replica_options_t
,
Parameters::parallel_replica_options_t
counter :
ASE
,
ASENwchemPot
,
ASEOrcaPot
,
Atoms
,
XTBPot
counters :
EMT
cpmd :
RGPotEngine::Impl
create :
eonc::MetatomicLoader
created :
eonc::PotRegistry::TypeStats
,
PotRegistry::TypeStats
created_at :
eonc::PotRegistry::InstanceRecord
,
PotRegistry::InstanceRecord
crossing :
eonc::TADJob
,
TADJob
current :
BasinHoppingJob
,
eonc::BasinHoppingJob
,
eonc::ReplicaDynamicsJob
,
ReplicaDynamicsJob
current_threshold_ :
eonc::neb::OCINEBController
curvatureHistory :
eonc::LORRotation
,
LORRotation
curvatures :
eonc::neb::ExtremaResult
cut_global :
eonc::Parameters::zbl_options_t
,
Parameters::zbl_options_t
cut_inner :
eonc::Parameters::zbl_options_t
,
Parameters::zbl_options_t
cutoff :
EMTDefaultParameterProvider
,
eonc::VesinNeighbors::Options
cutoff_ :
forcefields::PotentialBase
cutoff_ry :
eonc::Parameters::rgpot_options_t
,
Parameters::rgpot_options_t
,
RGPotEngineOptions
cutoffslope :
EMT
cutslope :
EMTDefaultParameterProvider
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