| _atomCoordinatesDOF | atomicrex::AtomicStructure | protected |
| _atomForcesProperty | atomicrex::AtomicStructure | protected |
| _atomicEnergyProperty | atomicrex::AtomicStructure | protected |
| _atomicVolumeProperty | atomicrex::AtomicStructure | protected |
| _bulkModulusProperty | atomicrex::AtomicStructure | protected |
| _elasticConstantProperties | atomicrex::AtomicStructure | protected |
| _fitEnabled | atomicrex::FitObject | protected |
| _id | atomicrex::FitObject | protected |
| _job | atomicrex::FitObject | protected |
| _outputEnabled | atomicrex::FitObject | protected |
| _pressureProperty | atomicrex::AtomicStructure | protected |
| _pressureTensorProperty | atomicrex::AtomicStructure | protected |
| _relativeWeight | atomicrex::FitObject | protected |
| _totalEnergyProperty | atomicrex::AtomicStructure | protected |
| _totalVolumeProperty | atomicrex::AtomicStructure | protected |
| absoluteToReduced(const Point3 &worldPoint) const | atomicrex::AtomicStructure | inline |
| absoluteToReduced(const Vector3 &worldVec) const | atomicrex::AtomicStructure | inline |
| assignAbsoluteWeights(double absoluteWeight) | atomicrex::FitObject | virtual |
| ATOM_POSITIONS enum value | atomicrex::AtomicStructure | |
| atomDisplacements() const | atomicrex::AtomicStructure | inline |
| atomDisplacements() | atomicrex::AtomicStructure | inline |
| atomForces() const | atomicrex::AtomicStructure | inline |
| atomForces() | atomicrex::AtomicStructure | inline |
| atomForcesProperty() | atomicrex::AtomicStructure | inline |
| AtomicStructure(const FPString &id, FitJob *job) (defined in atomicrex::AtomicStructure) | atomicrex::AtomicStructure | |
| atomInitialPositions() const | atomicrex::AtomicStructure | inline |
| atomPositions() const | atomicrex::AtomicStructure | inline |
| atomPositions() | atomicrex::AtomicStructure | inline |
| atomTags() const | atomicrex::AtomicStructure | inline |
| atomTags() | atomicrex::AtomicStructure | inline |
| atomType(int i) const | atomicrex::AtomicStructure | inline |
| atomTypeA() const | atomicrex::BinaryCubicLatticeStructure | inline |
| atomTypeB() const | atomicrex::BinaryCubicLatticeStructure | inline |
| atomTypes() const | atomicrex::AtomicStructure | inline |
| atomTypes() | atomicrex::AtomicStructure | inline |
| BinaryCubicLatticeStructure(const FPString &id, FitJob *job) | atomicrex::BinaryCubicLatticeStructure | protected |
| clearDirty(DirtyFlags parts) | atomicrex::AtomicStructure | inline |
| computeEnergy(bool computeForces, bool isFitting, bool suppressRelaxation=false) | atomicrex::AtomicStructure | |
| computeProperties(bool isFitting) override | atomicrex::AtomicStructure | virtual |
| deformSimulationCell(const Matrix3 &deformation) | atomicrex::AtomicStructure | |
| DirtyFlags enum name | atomicrex::AtomicStructure | |
| DOF() const | atomicrex::FitObject | inline |
| DOFById(const FPString &id, const FPString &tag=FPString()) const | atomicrex::FitObject | |
| dofValueChanged(DegreeOfFreedom &dof) override | atomicrex::AtomicStructure | inlinevirtual |
| 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 |
| forwardMapping() const | atomicrex::AtomicStructure | inline |
| hasPBC(size_t dimension) const | atomicrex::AtomicStructure | inline |
| id() const | atomicrex::FitObject | inline |
| isDirty(DirtyFlags parts) const | atomicrex::AtomicStructure | inline |
| job() const | atomicrex::FitObject | inline |
| L12LatticeStructure(const FPString &id, FitJob *job) | atomicrex::L12LatticeStructure | inline |
| LAMMPS enum value (defined in atomicrex::AtomicStructure) | atomicrex::AtomicStructure | |
| latticeParameter() const | atomicrex::BinaryCubicLatticeStructure | inline |
| latticeParameterProperty() | atomicrex::BinaryCubicLatticeStructure | inline |
| listAllDOF(std::vector< DegreeOfFreedom *> &list) const | atomicrex::FitObject | |
| listAllProperties(std::vector< FitProperty *> &list) const | atomicrex::FitObject | |
| NEIGHBOR_LISTS enum value | atomicrex::AtomicStructure | |
| neighborList(const Potential *potential) (defined in atomicrex::AtomicStructure) | atomicrex::AtomicStructure | inline |
| numAtoms() const | atomicrex::AtomicStructure | inline |
| numGhostAtoms() const | atomicrex::AtomicStructure | inline |
| numLocalAtoms() const | atomicrex::AtomicStructure | inline |
| outputEnabled() const | atomicrex::FitObject | inline |
| OutputFormat enum name | atomicrex::AtomicStructure | |
| parent() const | atomicrex::FitObject | inline |
| parse(XML::Element structureElement) override | atomicrex::BinaryCubicLatticeStructure | virtual |
| pbc() const | atomicrex::AtomicStructure | inline |
| perAtomData() | atomicrex::AtomicStructure | inline |
| periodicImage(const Point3 &p) const | atomicrex::AtomicStructure | |
| POSCAR enum value (defined in atomicrex::AtomicStructure) | atomicrex::AtomicStructure | |
| pressure() const | atomicrex::AtomicStructure | inline |
| pressureTensor(int voigtIndex) const | atomicrex::AtomicStructure | inline |
| print(MsgLogger &stream) | atomicrex::FitObject | inlinevirtual |
| properties() const | atomicrex::FitObject | inline |
| propertyById(const FPString &id) const | atomicrex::FitObject | |
| reciprocalSimulationCell() const | atomicrex::AtomicStructure | inline |
| reducedToAbsolute(const Point3 &reducedPoint) const | atomicrex::AtomicStructure | inline |
| reducedToAbsolute(const Vector3 &reducedVec) const | atomicrex::AtomicStructure | inline |
| 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 |
| relax(bool isFitting) | atomicrex::AtomicStructure | |
| reverseMapping() const | atomicrex::AtomicStructure | inline |
| setAtomCount(int numLocalAtoms) | atomicrex::AtomicStructure | |
| setAtomPositions(const std::vector< Point3 > &newPositions) | atomicrex::AtomicStructure | inline |
| setAtomTypeA(double atomType) | atomicrex::BinaryCubicLatticeStructure | inline |
| setAtomTypeB(double atomType) | atomicrex::BinaryCubicLatticeStructure | inline |
| setDirty(DirtyFlags flags) | atomicrex::AtomicStructure | 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 |
| setupSimulationCell(const Matrix3 &cellVectors, const Point3 &cellOrigin=Point3::Origin(), const std::array< bool, 3 > &pbc=std::array< bool, 3 >{{true, true, true}}) | atomicrex::AtomicStructure | |
| simulationCell() const | atomicrex::AtomicStructure | inline |
| simulationCellOrigin() const | atomicrex::AtomicStructure | inline |
| STRUCTURE_DOF enum value | atomicrex::AtomicStructure | |
| tag() const | atomicrex::FitObject | inline |
| totalEnergy() const | atomicrex::AtomicStructure | inline |
| updateStructure() override | atomicrex::L12LatticeStructure | virtual |
| virial() const | atomicrex::AtomicStructure | inline |
| virial() | atomicrex::AtomicStructure | inline |
| wrapPoint(Point3 p) const | atomicrex::AtomicStructure | |
| wrapReducedPoint(Point3 p) const | atomicrex::AtomicStructure | |
| writeToDumpFile(const FPString &filename, bool includeGhostAtoms=false) const | atomicrex::AtomicStructure | |
| writeToFile() | atomicrex::AtomicStructure | |
| writeToPoscarFile(const FPString &filename, bool includeGhostAtoms=false) const | atomicrex::AtomicStructure | |
| ~FitObject()=default | atomicrex::FitObject | virtual |
