atomicrex  0.1
An advanced atomistic model building tool
atomicrex::CDIPotential Member List

This is the complete list of members for atomicrex::CDIPotential, including all inherited members.

_fitEnabledatomicrex::FitObjectprotected
_idatomicrex::FitObjectprotected
_jobatomicrex::FitObjectprotected
_outputEnabledatomicrex::FitObjectprotected
_relativeWeightatomicrex::FitObjectprotected
assignAbsoluteWeights(double absoluteWeight)atomicrex::FitObjectvirtual
CDIPotential(const FPString &id, FitJob *job)atomicrex::CDIPotentialinline
computeEnergy(AtomicStructure &structure, NeighborList &neighborList) overrideatomicrex::CDIPotentialvirtual
computeEnergyAndForces(AtomicStructure &structure, NeighborList &neighborList) overrideatomicrex::CDIPotentialvirtual
computeProperties(bool isFitting)atomicrex::FitObjectinlinevirtual
cutoff() const overrideatomicrex::CDIPotentialinlinevirtual
DOF() constatomicrex::FitObjectinline
DOFById(const FPString &id, const FPString &tag=FPString()) constatomicrex::FitObject
dofValueChanged(DegreeOfFreedom &dof)atomicrex::FitObjectinlinevirtual
enableInteraction(int speciesA, int speciesB)atomicrex::Potentialinline
fitEnabled() constatomicrex::FitObjectinline
FitObject()atomicrex::FitObjectinlineprotected
FitObject(const FPString &id, FitJob *job, const FPString &tag=FPString())atomicrex::FitObjectinlineprotected
fitObjects() constatomicrex::FitObjectinline
generateXMLDefinition() overrideatomicrex::CDIPotentialvirtual
id() constatomicrex::FitObjectinline
interacting(int speciesA, int speciesB) constatomicrex::Potentialinline
isAtomTypeEnabled(int species) constatomicrex::Potentialinline
job() constatomicrex::FitObjectinline
listAllDOF(std::vector< DegreeOfFreedom *> &list) constatomicrex::FitObject
listAllProperties(std::vector< FitProperty *> &list) constatomicrex::FitObject
outputEnabled() constatomicrex::FitObjectinline
outputResults() overrideatomicrex::CDIPotentialvirtual
parent() constatomicrex::FitObjectinline
parse(XML::Element potentialElement) overrideatomicrex::CDIPotentialvirtual
perAtomDataSize() constatomicrex::Potentialinlinevirtual
perBondDataSize() constatomicrex::Potentialinlinevirtual
Potential(const FPString &id, FitJob *job, const FPString &tag=FPString())atomicrex::Potential
preparePotential()atomicrex::Potentialinlinevirtual
print(MsgLogger &stream)atomicrex::FitObjectinlinevirtual
properties() constatomicrex::FitObjectinline
propertyById(const FPString &id) constatomicrex::FitObject
registerDOF(DegreeOfFreedom *dof)atomicrex::FitObjectprotected
registerProperty(FitProperty *prop, bool deleteOnShutdown=false)atomicrex::FitObjectprotected
registerSubObject(FitObject *subobject, bool deleteOnShutdown=false)atomicrex::FitObject
relativeWeight() constatomicrex::FitObjectinline
setFitEnabled(bool enable)atomicrex::FitObjectinline
setId(const FPString &id)atomicrex::FitObjectinline
setOutputEnabled(bool enable)atomicrex::FitObjectinline
setRelativeWeight(double weight)atomicrex::FitObjectinline
setTag(const FPString &tag)atomicrex::FitObjectinline
tag() constatomicrex::FitObjectinline
writePotential(const FPString &filename) constatomicrex::CDIPotential
writeTables(const FPString &basename) constatomicrex::CDIPotential
~FitObject()=defaultatomicrex::FitObjectvirtual