eOn 3.2.0
Long-timescale dynamics: aKMC, NEB, parallel replica
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Here is a list of all class members with links to the classes they belong to:
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_
~
- f -
f_ :
eonc::pathintegral::RingPolymer
F_R :
eonc::ImprovedDimer
F_R_Old :
eonc::ImprovedDimer
fcalls :
eonc::BasinHoppingJob
fCallsMin :
eonc::ProcessSearchJob
fcallsMove :
eonc::GlobalOptimizationJob
fCallsNEB :
eonc::NudgedElasticBandJob
fCallsPrefactors :
eonc::ProcessSearchJob
fcallsRelax :
eonc::GlobalOptimizationJob
fCallsSaddle :
eonc::ProcessSearchJob
,
eonc::SaddleSearchJob
fd_scheme :
eonc::hessian_options_t
fh1_ :
forcefields::SpceCcl::Water
,
forcefields::Tip4p::Water
fh2_ :
forcefields::SpceCcl::Water
,
forcefields::Tip4p::Water
file :
eonc::ILammpsLoader
file_fn :
eonc::ILammpsLoader
FileScoped() :
eonc::log::FileScoped
fileToMatter :
eonc::Matter
filin :
eonc::artn_options_t
filter_fraction :
eonc::prefactor_options_t
filter_scheme :
eonc::prefactor_options_t
finalizeClimbStatus() :
eonc::MinModeSaddleSearch
finalizeHessian() :
eonc::Hessian
finalizeMpiAtExit() :
RGPotEngine
finalState :
eonc::ReplicaDynamicsJob
finalStateTmp :
eonc::ReplicaDynamicsJob
findExtrema() :
eonc::NudgedElasticBand
findSymmetry() :
eonc::IRACompare
finishConstruct() :
RgpotAdapter< RPot >
finishRunScript() :
AMS
finiteCutoff() :
eonc::Potential
,
RgpotAdapter< RPot >
finiteDifference :
eonc::main_options_t
,
eonc::OptimizerConfig
FiniteDifferenceJob() :
eonc::FiniteDifferenceJob
FIRE() :
eonc::FIRE
first_run :
AMS
firstPlaneHeight :
eonc::piqtst::Rate
firstRun :
VASP
firstStep :
eonc::GlobalOptimizationJob
fixedMask_ :
LAMMPSPot
fixedReferenceMode :
eonc::ImprovedDimer
fn :
eonc::OHTSTJob::PlaneAverages
fn_ :
forcefields::Tip4p::Water
fo_ :
forcefields::SpceCcl::Water
,
forcefields::Tip4p::Water
force() :
AMS
,
AMS_IO
,
ASE
,
ASENwchemPot
,
ASEOrcaPot
,
CatLearnPot
,
EAM
,
EffectiveMediumTheory
,
EMT
,
eonc::IMetatomicLoader
,
eonc::metatomic_options_t::variants_t
,
eonc::MetatomicDynPot
,
eonc::neb::ImageForceData
,
eonc::Potential
,
ExtPot
,
GPRPotential
,
LAMMPSPot
,
MetatomicEngineLoader
,
MetatomicPotential
,
MPIPot
,
RgpotAdapter< RPot >
,
RGPotEngine
,
RgpotPot
,
SocketNWChemPot
,
SpceCcl
,
Tip4p
,
Tip4p_Pt
,
VASP
,
XTBEngineLoader
,
XTBPot
force_ :
forcefields::PotentialBase::ChargeGroup< N, R, F >
force_batch() :
EMT
force_calls :
eonc::JobResultEnvelope
,
eonc::PotRegistry::InstanceRecord
,
eonc::PotRegistry::TypeStats
force_fn :
eonc::IMetatomicLoader
,
MetatomicEngineLoader
,
XTBEngineLoader
force_output :
eonc::metatomic_options_t
,
EonMtaConfig
force_serial_ :
eonc::Potential
force_threshold :
eonc::artn_options_t
force_tol :
eonc::oh_tst_options_t
force_tolerance :
eonc::instanton_options_t
,
eonc::neb::OCINEBController::Config
,
eonc::neb_options_t
,
eonc::neb_options_t::path_initialization_t
forceBatch() :
ASE
,
eonc::Potential
,
MetatomicPotential
,
RgpotAdapter< RPot >
,
RgpotPot
forceBatchNative() :
MetatomicPotential
forceBatchOwned() :
eonc::Potential
,
RgpotPot
forceBox() :
eonc::AtomicGPDimer
forceCallCounter :
eonc::Potential
forceCalls :
eonc::DimerRotationResult
,
eonc::Matter
,
eonc::ReplicaExchangeJob
forcecalls :
eonc::ARTnSaddleSearch
,
eonc::MinModeSaddleSearch
ForceCallTimer() :
eonc::ForceCallTimer
forceConversion :
AMS
forcefield :
AMS
,
AMS_IO
,
eonc::ams_options_t
forceLocal() :
LAMMPSPot
forceOnce() :
SocketNWChemPot
forces :
EMT
,
eonc::Matter::Impl
,
eonc::pathintegral::RingPolymer
forces_ :
forcefields::ZhuPhilpott< P >
forcesData() :
eonc::Matter
forceSpring :
eonc::neb::SpringResult
forceSpringPar :
eonc::neb::SpringResult
forceSum_ :
eonc::pathintegral::RingPolymer
forceTolerance :
eonc::tunneling::InstantonOptions
,
eonc::tunneling::RateInstantonOptions
foundNegativeCurvature :
eonc::ImprovedDimer
FPEGuard() :
eonc::FPEGuard
frame_index :
eonc::io::ConFrameMetadata
free :
eonc::piqtst::Coordinate
free_ :
eonc::pathintegral::RingPolymer
free_list() :
eonc::VesinNeighbors
freeEnergy :
eonc::piqtst::Plane
freeEnergyError :
eonc::piqtst::Plane
freeIndex_ :
eonc::pathintegral::RingPolymer
freeIndices :
eonc::Matter
freeMask :
eonc::Matter::Impl
freqs :
eonc::Hessian
fromMinimization() :
eonc::JobResultEnvelope
fromNormal() :
eonc::pathintegral::RingPolymer
fromParams() :
eonc::DynamicsConfig
,
eonc::neb::OCINEBController
,
eonc::OptimizerConfig
full :
eonc::VesinNeighbors::Options
fullstresses :
EMT
func_coeff :
EAM::element_parameters
functional :
eonc::dftd_options_t
,
eonc::rgpot_options_t
,
RGPotEngineOptions
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