File List

Here is a list of all files with brief descriptions:

[detail level 123456]

client
potentials
AMS
AMS.cpp
AMS_IO
AMS_IO.cpp
ASE
ASE.cpp
ASE_NWCHEM
ASE_NWCHEM.cpp
ASE_ORCA
ASE_ORCA.cpp
CatLearnPot
CatLearnPot.cpp
EAM
EAM.cpp
test.cpp
EMT
EffectiveMediumTheory.cpp
ExtPot
ExtPot.cpp
GPRPotential
GPRPotential.cpp
LAMMPS
LammpsLoader.cpp
LAMMPSPot.cpp
Metatomic
MetatomicCAbi.cpp
MetatomicDynPot.cpp
MetatomicEngineAbi.cpp
MetatomicLoader.cpp
MetatomicPotential.cpp
MPIPot
MPIPot.cpp
Rgpot
MetatomicEngineLoader.cpp
RGPotEngine.cpp
RgpotPot.cpp
XTBEngineLoader.cpp
SocketNWChem
SocketNWChemPot.cpp
VASP
VASP.cpp
Water
ccl.cpp	Potential CCL Table II for intramolecular interactions in water
potential_base.cpp	Basic tools to write potentials
spce_ccl.cpp	SPC/E potential for water
tip4p_ccl.cpp	TIP4P potential for water
Water.cpp
Water_Pt
Tip4p_Pt.cpp
zhu_philpott.cpp	Potential for water and Platinum
zhu_philpott_parameters.cpp	Parameters for potential ZhuPhilpott
XTBPot
XTBPot.cpp
PluginLoader.cpp
ARTnSaddleSearch.cpp
AtomicGPDimer.cpp
BasinHoppingJob.cpp
BasinHoppingSaddleSearch.cpp
BiasedGradientSquaredDescent.cpp
BondBoost.cpp
Bundling.cpp
ClientEON.cpp
CommandLine.cpp
ConFileIO.cpp
ConjugateGradients.cpp
Davidson.cpp
Dimer.cpp
Dynamics.cpp
DynamicsJob.cpp
DynamicsSaddleSearch.cpp
EnvHelpers.cc
EpiCenters.cpp
FiniteDifferenceJob.cpp
FIRE.cpp
fpe_handler.cpp
GeometryAnalysis.cpp
GleThermostat.cpp
GlobalOptimization.cpp
GlobalOptimizationJob.cpp
GPRHelpers.cpp
GPSurrogateJob.cpp
HelperFunctions.cpp
Hessian.cpp
HessianJob.cpp
IDPPObjectiveFunction.cpp
ImprovedDimer.cpp
IRACompare.cpp
Job.cpp
Lanczos.cpp
LBFGS.cpp
LORRotation.cpp
LowestEigenmode.cpp
Matter.cpp
MinimizationJob.cpp
MinModeSaddleSearch.cpp
MobileAtoms.cpp
MonteCarlo.cpp
MonteCarloJob.cpp
NEBForceProjection.cpp
NEBInitialPaths.cpp
NEBObjectiveFunction.cpp
NEBOcinebController.cpp
NEBProjection.cpp
NEBSplineExtrema.cpp
NEBSpringForce.cpp
NEBTangent.cpp
NudgedElasticBand.cpp
NudgedElasticBandJob.cpp
OHTSTJob.cpp
Optimizer.cpp
ParallelReplicaJob.cpp
Parameters.cpp
ParametersINI.cpp
ParametersJSON.cpp
ParametersSSOT.cpp
PointJob.cpp
Potential.cpp
PotRegistry.cpp
Prefactor.cpp
PrefactorJob.cpp
ProcessSearchJob.cpp
Quickmin.cpp
RandomNumbers.cpp
ReplicaDynamicsJob.cpp
ReplicaExchangeJob.cpp
SaddleSearchJob.cpp
SafeHyperJob.cpp
ServeMode.cpp	Multi-model RPC serving for eOn potentials
ServeRpcServer.cpp	Cap'n Proto RPC server using flat-array force callbacks
SteepestDescent.cpp
StringHelpers.cc
StructureComparisonJob.cpp
SurrogatePotential.cpp
TADJob.cpp
TestJob.cpp
testpot.cpp
testWriteR.cpp
VesinNeighbors.cpp
include
eon
generated
ParametersSSOTDefaults.h
helpers
Create.hpp
libs
ARTn
ARTnResource.h
IRA
IRAResource.h
potentials
AMS
AMS.h
AMS_IO
AMS_IO.h
ASE
ASE.h
ASE_NWCHEM
ASE_NWCHEM.h
ASE_ORCA
ASE_ORCA.h
CatLearnPot
CatLearnPot.h
EAM
EAM.h
Parameters.h
EMT
AlH
EMT_parms.h
Asap
Atoms.h
CellList.h
EMT.h	-- Implements the EMT potential for multiple elements
EMTDefaultParameterProvider.h
EMTParameterProvider.h
EMTRasmussenParameterProvider.h
Exception.h
GhostAtoms.h
GhostPotential.h
Image.h
mass.h
NeighborList.h
Potential.h
stacktrace.h
SuperCell.h
TinyMatrix.h
Vec.h
vectools.h
Cu
EMT_parms.h
EffectiveMediumTheory.h
ExtPot
ExtPot.h
ExtPotCommand.h
GPRPotential
GPRPotential.h
LAMMPS
LammpsLoader.h
LAMMPSPot.h
library.h
Metatomic
metatomic_c_abi.h
MetatomicDynPot.h
MetatomicLoader.h
MetatomicPotential.h
MPIPot
MPIPot.h
Rgpot
metatomic_c_abi.h	C ABI between Metatomic frontend and libmetatomic_engine.so
MetatomicEngineLoader.h
RGPotEngine.h
RgpotPot.h
xtb_c_abi.h	C ABI between XTBDlopen frontend and libxtb_engine.so
XTBEngineLoader.h
RgpotAdapter
RgpotAdapter.h
SocketNWChem
SocketNWChemPot.h
VASP
VASP.h
Water
ccl.hpp	Potential CCL Table II for intramolecular interactions in water
potential_base.hpp	Basic tools to write potentials
spce_ccl.hpp	SPC/E potential for water
tip4p_ccl.hpp	TIP4P potential for water
tip4p_unit_system.hpp	Physical constants, unit conversion
Water.hpp	Wrapper for Eon
Water_Pt
Tip4p_Pt.hpp	Wrapper for Eon
zhu_philpott.hpp	Potential for water and Platinum
zhu_philpott_parameters.hpp	Parameters for potential ZhuPhilpott
XTBPot
units.hpp	Physical constants, unit conversion
xtb.h
XTBPot.h
ExternalCommand.h
PluginLoader.h
ARTnSaddleSearch.h
AtomicGPDimer.h
BaseStructures.h
BasinHoppingJob.h
BasinHoppingSaddleSearch.h
BiasedGradientSquaredDescent.h
BondBoost.h
Bundling.h
CommandLine.h
ConFileIO.h
ConjugateGradients.h	Direct optimization for energy minimization
Davidson.h
Dimer.h
DimerRotationDispatch.h
Dynamics.h
DynamicsJob.h
DynamicsSaddleSearch.h
DynLib.h
Eigen.h
EigenmodeStrategy.h
EnvHelpers.hpp
eonExceptions.hpp
EonLogger.h
EpiCenters.h
FiniteDifferenceJob.h
FIRE.h
ForceCallTimer.h
fpe_handler.h
GeometryAnalysis.h
GleThermostat.h
GlobalOptimization.h
GlobalOptimizationJob.h
GPRHelpers.h
GPSurrogateJob.h
HelperFunctions.h
Hessian.h
HessianJob.h
IDPPObjectiveFunction.hpp
ImprovedDimer.h
IRACompare.h
Job.h	The job class is used to serve as an abstract class for all jobs, as well as to call a job at runtime based off of the passed in parameters
Lanczos.h
LBFGS.h
LORRotation.h
LowestEigenmode.h
MatrixHelpers.hpp
Matter.h
MinimizationJob.h
MinModeSaddleSearch.h
MobileAtoms.h
MonteCarlo.h
MonteCarloJob.h
NbGuard.h
NEBForceProjection.h
NEBInitialPaths.hpp
NEBOcinebController.h
NEBProjection.h
NEBSplineExtrema.h
NEBSpringForce.h
NEBTangent.h
NudgedElasticBand.h
NudgedElasticBandJob.h
ObjectiveFunction.h
OHTSTJob.h	Optimized hyperplanar transition state theory (OH-TST)
Optimizer.h	The optimizer class is used to serve as an abstract class for all optimizers, as well as to call an optimizer at runtime based off of the passed in paramters
ParallelReplicaJob.h
Parameters.h
ParametersINI.h
ParametersJSON.h
ParametersSSOT.h
PointJob.h
Potential.h
PotRegistry.h
Prefactor.h
PrefactorJob.h
ProcessSearchJob.h	Finds possible escape mecahnisms from a state
PyGuard.h
Quickmin.h
RandomNumbers.h
ReplicaDynamicsJob.h
ReplicaExchangeJob.h
SaddleSearchJob.h	Finds transition states by finding saddle points on the potential energy surface
SaddleSearchMethod.h
SafeHyperJob.h
SafeMath.h
ServeMode.h
ServeRpcServer.h
SteepestDescent.h
StringHelpers.hpp
StructureComparisonJob.h
SurrogatePotential.h
TADJob.h
TestJob.h
VesinNeighbors.h