_fitEnabled | atomicrex::FitObject | protected |
_id | atomicrex::FitObject | protected |
_job | atomicrex::FitObject | protected |
_outputEnabled | atomicrex::FitObject | protected |
_relativeWeight | atomicrex::FitObject | protected |
assignAbsoluteWeights(double absoluteWeight) | atomicrex::FitObject | virtual |
computeEnergy(AtomicStructure &structure, NeighborList &neighborList) override | atomicrex::PairPotential | virtual |
computeEnergyAndForces(AtomicStructure &structure, NeighborList &neighborList) override | atomicrex::PairPotential | virtual |
computeProperties(bool isFitting) | atomicrex::FitObject | inlinevirtual |
cutoff() const override | atomicrex::PairPotential | inlinevirtual |
DOF() const | atomicrex::FitObject | inline |
DOFById(const FPString &id, const FPString &tag=FPString()) const | atomicrex::FitObject | |
dofValueChanged(DegreeOfFreedom &dof) | atomicrex::FitObject | inlinevirtual |
enableInteraction(int speciesA, int speciesB) | atomicrex::Potential | inline |
fitEnabled() const | atomicrex::FitObject | inline |
FitObject() | atomicrex::FitObject | inlineprotected |
FitObject(const FPString &id, FitJob *job, const FPString &tag=FPString()) | atomicrex::FitObject | inlineprotected |
fitObjects() const | atomicrex::FitObject | inline |
generateXMLDefinition() override | atomicrex::PairPotential | virtual |
id() const | atomicrex::FitObject | inline |
interacting(int speciesA, int speciesB) const | atomicrex::Potential | inline |
isAtomTypeEnabled(int species) const | atomicrex::Potential | inline |
job() const | atomicrex::FitObject | inline |
listAllDOF(std::vector< DegreeOfFreedom *> &list) const | atomicrex::FitObject | |
listAllProperties(std::vector< FitProperty *> &list) const | atomicrex::FitObject | |
outputEnabled() const | atomicrex::FitObject | inline |
outputResults() override | atomicrex::PairPotential | virtual |
PairPotential(const FPString &id, FitJob *job) | atomicrex::PairPotential | inline |
parent() const | atomicrex::FitObject | inline |
parse(XML::Element potentialElement) override | atomicrex::PairPotential | virtual |
parseInteractions(XML::Element parentElement) (defined in atomicrex::PairPotential) | atomicrex::PairPotential | |
perAtomDataSize() const | atomicrex::Potential | inlinevirtual |
perBondDataSize() const | atomicrex::Potential | inlinevirtual |
Potential(const FPString &id, FitJob *job, const FPString &tag=FPString()) | atomicrex::Potential | |
preparePotential() | atomicrex::Potential | inlinevirtual |
print(MsgLogger &stream) | atomicrex::FitObject | inlinevirtual |
properties() const | atomicrex::FitObject | inline |
propertyById(const FPString &id) const | atomicrex::FitObject | |
registerDOF(DegreeOfFreedom *dof) | atomicrex::FitObject | protected |
registerProperty(FitProperty *prop, bool deleteOnShutdown=false) | atomicrex::FitObject | protected |
registerSubObject(FitObject *subobject, bool deleteOnShutdown=false) | atomicrex::FitObject | |
relativeWeight() const | atomicrex::FitObject | inline |
setFitEnabled(bool enable) | atomicrex::FitObject | inline |
setId(const FPString &id) | atomicrex::FitObject | inline |
setOutputEnabled(bool enable) | atomicrex::FitObject | inline |
setRelativeWeight(double weight) | atomicrex::FitObject | inline |
setTag(const FPString &tag) | atomicrex::FitObject | inline |
tag() const | atomicrex::FitObject | inline |
writePotential(const FPString &filename) const | atomicrex::PairPotential | |
writeTables(const FPString &basename) const | atomicrex::PairPotential | |
~FitObject()=default | atomicrex::FitObject | virtual |