eOn client
Long-timescale dynamics: aKMC, NEB, parallel replica
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_
- m -
m_alpha :
eonc::FIRE
,
FIRE
m_alpha_start :
eonc::FIRE
,
FIRE
m_andersenProb :
eonc::OHTSTJob
,
OHTSTJob
m_cg_i :
ConjugateGradients
,
eonc::ConjugateGradients
m_config :
Dynamics
,
eonc::Dynamics
m_create :
MetatomicEngineLoader
,
XTBEngineLoader
m_created_at :
eonc::Potential
,
Potential
m_destroy :
MetatomicEngineLoader
,
XTBEngineLoader
m_direction :
ConjugateGradients
,
eonc::ConjugateGradients
m_directionNorm :
ConjugateGradients
,
eonc::ConjugateGradients
m_directionOld :
ConjugateGradients
,
eonc::ConjugateGradients
m_dt :
eonc::FIRE
,
eonc::OHTSTJob
,
eonc::Quickmin
,
FIRE
,
OHTSTJob
,
Quickmin
m_dt_max :
eonc::FIRE
,
eonc::Quickmin
,
FIRE
,
Quickmin
m_f_a :
eonc::FIRE
,
FIRE
m_f_dec :
eonc::FIRE
,
FIRE
m_f_inc :
eonc::FIRE
,
FIRE
m_force :
ConjugateGradients
,
eonc::ConjugateGradients
,
MetatomicEngineLoader
,
XTBEngineLoader
m_forceOld :
ConjugateGradients
,
eonc::ConjugateGradients
m_fPrev :
eonc::LBFGS
,
eonc::SteepestDescent
,
LBFGS
,
SteepestDescent
m_gaussHave :
eonc::OHTSTJob
,
OHTSTJob
m_gaussSpare :
eonc::OHTSTJob
,
OHTSTJob
m_gpmod :
CatLearnPot
m_handle :
eonc::ARTnResource
,
eonc::IRAResource
,
eonc::LammpsLoader
,
eonc::MetatomicDynPot
,
eonc::MetatomicLoader
m_handles :
eonc::PluginLoader
m_iteration :
eonc::FIRE
,
eonc::LBFGS
,
eonc::Quickmin
,
FIRE
,
LBFGS
,
Quickmin
m_kbt :
eonc::OHTSTJob
,
OHTSTJob
m_last_load_error :
eonc::PluginLoader
m_last_load_saw_file :
eonc::PluginLoader
m_lib :
MetatomicEngineLoader
,
XTBEngineLoader
m_loaded :
eonc::ARTnResource
,
eonc::IRAResource
,
eonc::LammpsLoader
,
eonc::MetatomicLoader
m_log :
ConjugateGradients
,
eonc::ConjugateGradients
,
eonc::FIRE
,
eonc::LBFGS
,
eonc::Matter
,
eonc::NudgedElasticBandJob
,
eonc::Quickmin
,
eonc::SteepestDescent
,
FIRE
,
LBFGS
,
Matter
,
MetatomicPotential
,
NudgedElasticBandJob
,
Quickmin
,
SteepestDescent
m_masses3N :
eonc::OHTSTJob
,
OHTSTJob
m_max_iter :
eonc::Quickmin
,
Quickmin
m_max_move :
eonc::FIRE
,
eonc::Quickmin
,
FIRE
,
Quickmin
m_memory :
eonc::LBFGS
,
LBFGS
m_metatomic_opts :
MetatomicPotential
m_mutex :
eonc::PluginLoader
m_N :
eonc::FIRE
,
FIRE
m_N_min :
eonc::FIRE
,
FIRE
m_next_id :
eonc::PotRegistry
,
PotRegistry
m_objf :
eonc::Optimizer
,
Optimizer
m_optConfig :
eonc::Optimizer
,
Optimizer
m_otype :
eonc::Optimizer
,
Optimizer
m_pot :
MetatomicEngineLoader
,
XTBEngineLoader
m_records :
eonc::PotRegistry
,
PotRegistry
m_records_mutex :
eonc::PotRegistry
,
PotRegistry
m_registry_id :
eonc::Potential
,
Potential
m_rho :
eonc::LBFGS
,
LBFGS
m_rPrev :
eonc::LBFGS
,
eonc::SteepestDescent
,
LBFGS
,
SteepestDescent
m_S :
eonc::GleThermostat
,
GleThermostat
m_s :
eonc::LBFGS
,
LBFGS
m_search_paths :
eonc::PluginLoader
m_seedState :
eonc::OHTSTJob
,
OHTSTJob
m_symDirs :
eonc::OHTSTJob
,
OHTSTJob
m_symXR :
eonc::OHTSTJob
,
OHTSTJob
m_T :
eonc::GleThermostat
,
GleThermostat
m_tried :
eonc::LammpsLoader
m_type_stats :
eonc::PotRegistry
,
PotRegistry
m_valid :
eonc::GleThermostat
,
GleThermostat
m_vel :
eonc::FIRE
,
eonc::Quickmin
,
FIRE
,
Quickmin
m_y :
eonc::LBFGS
,
LBFGS
m_Z :
eonc::GleThermostat
,
GleThermostat
MAIN_CHECKPOINT :
eonc::params_ssot::GeneratedDefaults
MAIN_CON_FILENAME :
eonc::params_ssot::GeneratedDefaults
MAIN_FINITE_DIFFERENCE :
eonc::params_ssot::GeneratedDefaults
MAIN_INI_FILENAME :
eonc::params_ssot::GeneratedDefaults
MAIN_JOB :
eonc::params_ssot::GeneratedDefaults
MAIN_MAX_FORCE_CALLS :
eonc::params_ssot::GeneratedDefaults
main_options :
eonc::Parameters
,
Parameters
MAIN_PARALLEL :
eonc::params_ssot::GeneratedDefaults
MAIN_QUIET :
eonc::params_ssot::GeneratedDefaults
MAIN_RANDOM_SEED :
eonc::params_ssot::GeneratedDefaults
MAIN_REMOVE_NET_FORCE :
eonc::params_ssot::GeneratedDefaults
MAIN_TEMPERATURE :
eonc::params_ssot::GeneratedDefaults
MAIN_WRITE_CON_FORCES :
eonc::params_ssot::GeneratedDefaults
MAIN_WRITE_LOG :
eonc::params_ssot::GeneratedDefaults
make_template_input :
eonc::Parameters::socket_nwchem_options_t
,
Parameters::socket_nwchem_options_t
,
SocketNWChemPot
many_iterations :
eonc::Parameters::gpr_dimer_options_t
,
Parameters::gpr_dimer_options_t
maskedForces :
eonc::Matter
,
Matter
mass :
emt_parameters
masses :
eonc::Matter
,
Matter
matter :
ARTnSaddleSearch
,
BGSDObjectiveFunction
,
BondBoost
,
Dynamics
,
eonc::ARTnSaddleSearch
,
eonc::BondBoost
,
eonc::Dynamics
,
eonc::Hessian
,
eonc::IDPPObjectiveFunction
,
eonc::MinModeSaddleSearch
,
eonc::MonteCarlo
,
Hessian
,
IDPPObjectiveFunction
,
MinModeObjectiveFunction
,
MinModeSaddleSearch
,
MonteCarlo
matterCenter :
AtomicGPDimer
,
Dimer
,
eonc::AtomicGPDimer
,
eonc::Dimer
matterDimer :
Dimer
,
eonc::Dimer
max_delta_a :
eonc::Parameters::oh_tst_options_t
,
Parameters::oh_tst_options_t
max_energy :
eonc::Parameters::saddle_search_options_t
,
Parameters::saddle_search_options_t
max_init_curvature :
eonc::Parameters::saddle_search_options_t::dynamics_t
,
Parameters::saddle_search_options_t::dynamics_t
max_inner_iterations :
eonc::Parameters::gpr_dimer_options_t
,
Parameters::gpr_dimer_options_t
max_inverse_curvature :
eonc::Parameters::optimizer_options_t::lbfgs_t
,
Parameters::optimizer_options_t::lbfgs_t
max_iter_before_reset :
eonc::Parameters::optimizer_options_t::cg_t
,
Parameters::optimizer_options_t::cg_t
max_iterations :
eonc::Parameters::artn_options_t
,
eonc::Parameters::davidson_options_t
,
eonc::Parameters::dimer_options_t
,
eonc::Parameters::gpr_dimer_options_t::opt_params_t
,
eonc::Parameters::lanczos_options_t
,
eonc::Parameters::neb_options_t
,
eonc::Parameters::neb_options_t::path_initialization_t
,
eonc::Parameters::optimizer_options_t
,
eonc::Parameters::saddle_search_options_t
,
Parameters::artn_options_t
,
Parameters::davidson_options_t
,
Parameters::dimer_options_t
,
Parameters::gpr_dimer_options_t::opt_params_t
,
Parameters::lanczos_options_t
,
Parameters::neb_options_t
,
Parameters::neb_options_t::path_initialization_t
,
Parameters::optimizer_options_t
,
Parameters::saddle_search_options_t
,
RgpotXtbConfig
,
XTBEngineOptions
max_jump_attempts :
eonc::Parameters::saddle_search_options_t
,
Parameters::saddle_search_options_t
max_move :
eonc::Parameters::neb_options_t::path_initialization_t
,
eonc::Parameters::optimizer_options_t
,
Parameters::neb_options_t::path_initialization_t
,
Parameters::optimizer_options_t
max_outer_iterations :
eonc::Parameters::gpr_dimer_options_t
,
Parameters::gpr_dimer_options_t
max_planes :
eonc::Parameters::oh_tst_options_t
,
Parameters::oh_tst_options_t
max_single_displace :
eonc::Parameters::saddle_search_options_t
,
Parameters::saddle_search_options_t
max_step :
eonc::Parameters::gpr_dimer_options_t
,
Parameters::gpr_dimer_options_t
max_steps :
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
max_time_step :
eonc::Parameters::optimizer_options_t
,
Parameters::optimizer_options_t
max_time_step_input :
eonc::Parameters::optimizer_options_t
,
Parameters::optimizer_options_t
max_value :
eonc::Parameters::prefactor_options_t
,
Parameters::prefactor_options_t
maxEnergyImage :
eonc::NudgedElasticBand
,
NudgedElasticBand
maxForceCalls :
eonc::Parameters::main_options_t
,
Parameters::main_options_t
maxiter :
eonc::Parameters::xtb_options_t
,
Parameters::xtb_options_t
maxlistlen :
NeighborList
maxseq :
EMTDefaultParameterProvider
mdFCalls :
eonc::ReplicaDynamicsJob
,
ReplicaDynamicsJob
mdmin :
eonc::GlobalOptimizationJob
,
eonc::Parameters::global_optimization_options_t
,
GlobalOptimizationJob
,
Parameters::global_optimization_options_t
mem_in_gb :
eonc::Parameters::socket_nwchem_options_t
,
Parameters::socket_nwchem_options_t
,
SocketNWChemPot
memory :
eonc::Parameters::optimizer_options_t::lbfgs_t
,
Parameters::optimizer_options_t::lbfgs_t
memory_mb :
eonc::Parameters::rgpot_options_t
,
Parameters::rgpot_options_t
,
RGPotEngineOptions
message :
Exception
metaStateFlag :
eonc::ReplicaDynamicsJob
,
ReplicaDynamicsJob
metatomic :
RGPotEngine::Impl
metatomic_options :
eonc::Parameters
,
Parameters
method :
eonc::Parameters::neb_options_t::path_initialization_t
,
eonc::Parameters::optimizer_options_t
,
eonc::Parameters::optimizer_options_t::refine_t
,
eonc::Parameters::saddle_search_options_t
,
Parameters::neb_options_t::path_initialization_t
,
Parameters::optimizer_options_t
,
Parameters::optimizer_options_t::refine_t
,
Parameters::saddle_search_options_t
,
RgpotXtbConfig
,
XTBEngineOptions
midpoint_max_disp :
eonc::Parameters::gpr_dimer_options_t
,
Parameters::gpr_dimer_options_t
min1 :
eonc::ProcessSearchJob
,
ProcessSearchJob
min2 :
eonc::ProcessSearchJob
,
ProcessSearchJob
min_active :
eonc::Parameters::saddle_search_options_t::confine_positive_t
,
Parameters::saddle_search_options_t::confine_positive_t
min_displacement :
eonc::Parameters::prefactor_options_t
,
Parameters::prefactor_options_t
min_force :
eonc::Parameters::saddle_search_options_t::confine_positive_t
,
Parameters::saddle_search_options_t::confine_positive_t
min_prefactor :
eonc::Parameters::tad_options_t
,
Parameters::tad_options_t
min_value :
eonc::Parameters::prefactor_options_t
,
Parameters::prefactor_options_t
minCorrectedTime :
eonc::ReplicaDynamicsJob
,
ReplicaDynamicsJob
minimization_offset :
eonc::Parameters::process_search_options_t
,
Parameters::process_search_options_t
minimize :
eonc::Parameters::neb_options_t::endpoint_options_t
,
Parameters::neb_options_t::endpoint_options_t
minimize_first :
eonc::Parameters::process_search_options_t
,
Parameters::process_search_options_t
minimizeFCalls :
eonc::ReplicaDynamicsJob
,
ReplicaDynamicsJob
minimum :
CellList
MINMODE_DAVIDSON :
eonc::LowestEigenmode
,
LowestEigenmode
MINMODE_DIMER :
eonc::LowestEigenmode
,
LowestEigenmode
MINMODE_GPRDIMER :
eonc::LowestEigenmode
,
LowestEigenmode
MINMODE_LANCZOS :
eonc::LowestEigenmode
,
LowestEigenmode
minmode_method :
eonc::Parameters::saddle_search_options_t
,
Parameters::saddle_search_options_t
minModeMethod :
eonc::MinModeSaddleSearch
,
MinModeObjectiveFunction
,
MinModeSaddleSearch
mmf_iterations_used_ :
eonc::neb::OCINEBController
mmf_peaks :
eonc::Parameters::neb_options_t
,
Parameters::neb_options_t
mode :
ARTnSaddleSearch
,
eonc::ARTnSaddleSearch
,
eonc::MinModeSaddleSearch
,
MinModeSaddleSearch
model :
AMS
,
AMS_IO
,
eonc::Parameters::ams_options_t
,
eonc::Parameters::catlearn_options_t
,
Parameters::ams_options_t
,
Parameters::catlearn_options_t
model_ :
MetatomicPotential
model_path :
eonc::Parameters::metatomic_options_t
,
eonc::Parameters::rgpot_options_t
,
EonMtaConfig
,
MetatomicEngineOptions
,
Parameters::metatomic_options_t
,
Parameters::rgpot_options_t
,
RGPotEngineOptions
,
RgpotMtaConfig
mol :
XTBPot
monfile :
eonc::GlobalOptimizationJob
,
GlobalOptimizationJob
monte_carlo_options :
eonc::Parameters
,
Parameters
move_method :
eonc::Parameters::global_optimization_options_t
,
Parameters::global_optimization_options_t
movedAfterForceCall :
eonc::NudgedElasticBand
,
NudgedElasticBand
movie_frames_ :
eonc::Matter
,
Matter
mpi_launcher :
eonc::Parameters::ase_nwchem_options_t
,
Parameters::ase_nwchem_options_t
MPIPollPeriod :
eonc::Parameters::potential_options_t
,
Parameters::potential_options_t
MPIPotentialRank :
eonc::Parameters::potential_options_t
,
Parameters::potential_options_t
MSG_LEN :
SocketNWChemPot
multiplicity :
eonc::Parameters::ase_nwchem_options_t
,
eonc::Parameters::rgpot_options_t
,
Parameters::ase_nwchem_options_t
,
Parameters::rgpot_options_t
,
RGPotEngineOptions
mutex_ :
eonc::FPEHandler
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