eOn 3.2.0
Long-timescale dynamics: aKMC, NEB, parallel replica
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~
- s -
s() :
eonc::tunneling::Profile
saddle_search_options() :
eonc::Parameters
,
eonc::ParametersLoadAccess
SaddleSearchJob() :
eonc::SaddleSearchJob
SaddleSearchMethod() :
eonc::SaddleSearchMethod
sample() :
eonc::pathintegral::RingPolymer
samplePlane() :
eonc::OHTSTJob
saveData() :
eonc::GPSurrogateJob
,
eonc::NudgedElasticBandJob
,
eonc::ProcessSearchJob
,
eonc::ReplicaDynamicsJob
,
eonc::ReplicaExchangeJob
,
eonc::SaddleSearchJob
scheduleStep() :
eonc::BondBoost
Scoped() :
eonc::log::Scoped
search_paths() :
eonc::IPluginLoader
,
eonc::PluginLoader
send_exact() :
SocketNWChemPot
send_header() :
SocketNWChemPot
sendStop() :
RgpotPot
serve_options() :
eonc::Parameters
,
eonc::ParametersLoadAccess
serveWorker() :
RgpotPot
set_mpi_client_comm() :
eonc::Parameters
set_mpi_potential_rank() :
eonc::Parameters
setAllBeads() :
eonc::pathintegral::RingPolymer
setAtomicNr() :
eonc::Matter
setAtomicNrs() :
eonc::Matter
SetAtomicNumbers() :
Atoms
setAtomIndex() :
eonc::Matter
SetAtoms() :
AsapPotential
,
EMT
,
SuperCell
SetBasis() :
SuperCell
setBeads() :
eonc::pathintegral::RingPolymer
setBiasForces() :
eonc::Matter
setBiasPotential() :
eonc::Matter
SetCalculator() :
Atoms
SetCartesianPositions() :
Atoms
setCell() :
eonc::Matter
setCIEnabled() :
eonc::NudgedElasticBand
setComputedPotential() :
eonc::Matter
SetContinuumElement() :
EMT
setCutoff() :
forcefields::PotentialBase
setEvaluation() :
eonc::Matter
setFileToMatter() :
eonc::Matter
setFixed() :
eonc::Matter
setFixedMask() :
eonc::Matter
,
eonc::Potential
,
LAMMPSPot
setForces() :
eonc::Matter
SetGhostPotential() :
GhostAtoms
setHeaderCon() :
eonc::Matter
setHeaderConLine() :
eonc::Matter
setHyperplane() :
eonc::pathintegral::RingPolymer
setMass() :
eonc::Matter
setMasses() :
eonc::Matter
setMomenta() :
eonc::pathintegral::RingPolymer
SetNumberOfAtoms() :
Atoms
SetNumberOfGhosts() :
GhostAtoms
SetNumberOfImages() :
Atoms
setPbcConvention() :
eonc::Matter
SetPeriodic() :
SuperCell
setPeriodic() :
eonc::Matter
setPeriodicity() :
forcefields::PotentialBase
setPlatinum() :
forcefields::ZhuPhilpott< P >
setPosition() :
eonc::Matter
setPositions() :
eonc::BGSDObjectiveFunction
,
eonc::CollectiveIDPPObjectiveFunction
,
eonc::IDPPObjectiveFunction
,
eonc::Matter
,
eonc::MinModeObjectiveFunction
,
eonc::NEBObjectiveFunction
,
eonc::ObjectiveFunction
,
eonc::ZBLRepulsiveIDPPObjective
setPositionsFree() :
eonc::Matter
setPositionsFreeV() :
eonc::Matter
setPositionsV() :
eonc::Matter
setPotential() :
eonc::Matter
setReferenceMode() :
eonc::ImprovedDimer
SetSubtractE0() :
EMT
setSwitchingWidth() :
forcefields::PotentialBase
setTemperature() :
eonc::Dynamics
setThermalVelocity() :
eonc::Dynamics
SetUnitCell() :
Atoms
SetUnwrappedPositions() :
Atoms
setup_server() :
SocketNWChemPot
setVelocities() :
eonc::Matter
setVelocity() :
eonc::Matter
shareResult() :
RGPotEngine
shift() :
eonc::VesinNeighbors
shouldTrigger() :
eonc::neb::OCINEBController
shutdownModule() :
RGPotEngine
sigma() :
forcefields::PotentialBase
sigma_batch() :
EMT
single_step() :
eonc::ConjugateGradients
size() :
eonc::VesinNeighbors
smallSys() :
AMS
smithKongEpsilon() :
forcefields::PotentialBase
smithKongSigma() :
forcefields::PotentialBase
socket_nwchem_options() :
eonc::Parameters
,
eonc::ParametersLoadAccess
SocketNWChemPot() :
SocketNWChemPot
solidJacobian() :
eonc::NudgedElasticBand
solidState() :
eonc::NudgedElasticBand
spawnVASP() :
VASP
SpceCcl() :
forcefields::SpceCcl
,
SpceCcl
spreadForce() :
forcefields::PotentialBase
spreadWeightedForce() :
forcefields::PotentialBase
stabilityCount() :
eonc::neb::OCINEBController
statusMessage() :
eonc::MinModeSaddleSearch
SteepestDescent() :
eonc::SteepestDescent
step() :
eonc::ConjugateGradients
,
eonc::FIRE
,
eonc::LBFGS
,
eonc::Optimizer
,
eonc::pathintegral::RingPolymer
,
eonc::Quickmin
,
eonc::SteepestDescent
,
eonc::XtsciOptimizer
,
XtsciOptimizer
stopAndDrop() :
RgpotPot
stopWorker() :
LAMMPSPot
storeStress() :
RgpotAdapter< RPot >
structure_comparison_options() :
eonc::Parameters
,
eonc::ParametersLoadAccess
StructureComparisonJob() :
eonc::StructureComparisonJob
SuperCell() :
SuperCell
supportsBatchEvaluation() :
ASE
,
eonc::Potential
,
MetatomicPotential
,
RgpotAdapter< RPot >
,
RgpotPot
supportsFiniteDifferenceCurvature() :
eonc::NEBObjectiveFunction
,
eonc::ObjectiveFunction
SurrogatePotential() :
eonc::SurrogatePotential
switching() :
forcefields::PotentialBase
switchjob() :
AMS
symmetryReflect() :
eonc::OHTSTJob
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