OpenMD::SimInfo Member List

This is the complete list of members for OpenMD::SimInfo, including all inherited members.

addInteractionPairs(Molecule *mol)	OpenMD::SimInfo
addMolecule(Molecule *mol)	OpenMD::SimInfo
addProperty(std::shared_ptr< GenericData > genData)	OpenMD::SimInfo
beginMolecule(MoleculeIterator &i)	OpenMD::SimInfo
getAtomStorageLayout()	OpenMD::SimInfo	inline
getCalcBoxDipole() (defined in OpenMD::SimInfo)	OpenMD::SimInfo	inline
getCalcBoxQuadrupole() (defined in OpenMD::SimInfo)	OpenMD::SimInfo	inline
getCutoff(RealType &rcut, RealType &rsw) (defined in OpenMD::SimInfo)	OpenMD::SimInfo
getCutoffGroupStorageLayout() (defined in OpenMD::SimInfo)	OpenMD::SimInfo	inline
getDumpFileName() (defined in OpenMD::SimInfo)	OpenMD::SimInfo	inline
getExcludedInteractions() (defined in OpenMD::SimInfo)	OpenMD::SimInfo	inline
getFdf() (defined in OpenMD::SimInfo)	OpenMD::SimInfo
getFinalConfigFileName() (defined in OpenMD::SimInfo)	OpenMD::SimInfo	inline
getForceField()	OpenMD::SimInfo	inline
getGlobalAtomIndices()	OpenMD::SimInfo
getGlobalCountOfType(AtomType *atype)	OpenMD::SimInfo
getGlobalGroupIndices()	OpenMD::SimInfo
getGlobalGroupMembership() (defined in OpenMD::SimInfo)	OpenMD::SimInfo	inline
getGlobalMolMembership(int id) (defined in OpenMD::SimInfo)	OpenMD::SimInfo	inline
getIdentArray() (defined in OpenMD::SimInfo)	OpenMD::SimInfo	inline
getIOIndexToIntegrableObject(int index)	OpenMD::SimInfo
getLocalIndexManager()	OpenMD::SimInfo	inline
getMassFactors() (defined in OpenMD::SimInfo)	OpenMD::SimInfo	inline
getMoleculeByGlobalIndex(int index)	OpenMD::SimInfo	inline
getMoleculeStamp(int id)	OpenMD::SimInfo	inline
getMoleculeStampId(int globalIndex) (defined in OpenMD::SimInfo)	OpenMD::SimInfo	inline
getMolToProc(int globalIndex)	OpenMD::SimInfo	inline
getNAtoms()	OpenMD::SimInfo	inline
getNBends()	OpenMD::SimInfo	inline
getNBonds()	OpenMD::SimInfo	inline
getNConstraints()	OpenMD::SimInfo	inline
getNCutoffGroups()	OpenMD::SimInfo	inline
getNdf()	OpenMD::SimInfo	inline
getNdfLocal()	OpenMD::SimInfo	inline
getNdfRaw()	OpenMD::SimInfo	inline
getNdfTrans()	OpenMD::SimInfo	inline
getNFluctuatingCharges()	OpenMD::SimInfo	inline
getNGlobalAtoms()	OpenMD::SimInfo	inline
getNGlobalBends()	OpenMD::SimInfo	inline
getNGlobalBonds()	OpenMD::SimInfo	inline
getNGlobalConstraints() (defined in OpenMD::SimInfo)	OpenMD::SimInfo	inline
getNGlobalCutoffGroups()	OpenMD::SimInfo	inline
getNGlobalIntegrableObjects()	OpenMD::SimInfo	inline
getNGlobalInversions()	OpenMD::SimInfo	inline
getNGlobalMolecules()	OpenMD::SimInfo	inline
getNGlobalRigidBodies()	OpenMD::SimInfo	inline
getNGlobalTorsions()	OpenMD::SimInfo	inline
getNIntegrableObjects()	OpenMD::SimInfo	inline
getNInversions()	OpenMD::SimInfo	inline
getNLocalCutoffGroups()	OpenMD::SimInfo
getNMolecules()	OpenMD::SimInfo	inline
getNMoleculeStamp()	OpenMD::SimInfo	inline
getNRigidBodies()	OpenMD::SimInfo	inline
getNTorsions()	OpenMD::SimInfo	inline
getNZconstraint()	OpenMD::SimInfo	inline
getOneFourInteractions() (defined in OpenMD::SimInfo)	OpenMD::SimInfo	inline
getOneThreeInteractions() (defined in OpenMD::SimInfo)	OpenMD::SimInfo	inline
getOneTwoInteractions() (defined in OpenMD::SimInfo)	OpenMD::SimInfo	inline
getProperties()	OpenMD::SimInfo
getPropertyByName(const std::string &propName)	OpenMD::SimInfo
getPropertyNames()	OpenMD::SimInfo
getRandomNumberGenerator() const (defined in OpenMD::SimInfo)	OpenMD::SimInfo	inline
getRawMetaData() (defined in OpenMD::SimInfo)	OpenMD::SimInfo	inline
getRegions() (defined in OpenMD::SimInfo)	OpenMD::SimInfo	inline
getReportFileName() (defined in OpenMD::SimInfo)	OpenMD::SimInfo	inline
getRestFileName() (defined in OpenMD::SimInfo)	OpenMD::SimInfo	inline
getRigidBodyStorageLayout() (defined in OpenMD::SimInfo)	OpenMD::SimInfo	inline
getSimParams() (defined in OpenMD::SimInfo)	OpenMD::SimInfo	inline
getSimulatedAtomTypes()	OpenMD::SimInfo
getSnapshotManager()	OpenMD::SimInfo	inline
getStatFileName() (defined in OpenMD::SimInfo)	OpenMD::SimInfo	inline
getUseAtomicVirial() (defined in OpenMD::SimInfo)	OpenMD::SimInfo	inline
isTopologyDone() (defined in OpenMD::SimInfo)	OpenMD::SimInfo	inline
MoleculeIterator typedef (defined in OpenMD::SimInfo)	OpenMD::SimInfo
nextMolecule(MoleculeIterator &i)	OpenMD::SimInfo
operator<< (defined in OpenMD::SimInfo)	OpenMD::SimInfo	friend
prepareTopology()	OpenMD::SimInfo
removeInteractionPairs(Molecule *mol)	OpenMD::SimInfo
removeMolecule(Molecule *mol)	OpenMD::SimInfo
removeProperty(const std::string &propName)	OpenMD::SimInfo
requiresPrepair() (defined in OpenMD::SimInfo)	OpenMD::SimInfo	inline
requiresSelfCorrection() (defined in OpenMD::SimInfo)	OpenMD::SimInfo	inline
requiresSkipCorrection() (defined in OpenMD::SimInfo)	OpenMD::SimInfo	inline
setAtomStorageLayout(int asl)	OpenMD::SimInfo	inline
setCutoffGroupStorageLayout(int cgsl) (defined in OpenMD::SimInfo)	OpenMD::SimInfo	inline
setDumpFileName(const std::string &fileName) (defined in OpenMD::SimInfo)	OpenMD::SimInfo	inline
setFdf(int fdf)	OpenMD::SimInfo	inline
setFinalConfigFileName(const std::string &fileName) (defined in OpenMD::SimInfo)	OpenMD::SimInfo	inline
setGlobalGroupMembership(const std::vector< int > &ggm)	OpenMD::SimInfo	inline
setGlobalMolMembership(const std::vector< int > &gmm)	OpenMD::SimInfo	inline
setIOIndexToIntegrableObject(const std::vector< StuntDouble * > &v) (defined in OpenMD::SimInfo)	OpenMD::SimInfo
setMolToProcMap(const std::vector< int > &molToProcMap)	OpenMD::SimInfo	inline
setNZconstraint(int nZconstraint)	OpenMD::SimInfo	inline
setRawMetaData(const std::string &rawMetaData) (defined in OpenMD::SimInfo)	OpenMD::SimInfo	inline
setReportFileName(const std::string &fileName) (defined in OpenMD::SimInfo)	OpenMD::SimInfo	inline
setRestFileName(const std::string &fileName) (defined in OpenMD::SimInfo)	OpenMD::SimInfo	inline
setRigidBodyStorageLayout(int rbsl) (defined in OpenMD::SimInfo)	OpenMD::SimInfo	inline
setSnapshotManager(SnapshotManager *sman)	OpenMD::SimInfo
setStatFileName(const std::string &fileName) (defined in OpenMD::SimInfo)	OpenMD::SimInfo	inline
SimInfo(ForceField *ff, Globals *simParams)	OpenMD::SimInfo
update()	OpenMD::SimInfo
usesAtomicVirial() (defined in OpenMD::SimInfo)	OpenMD::SimInfo	inline
usesDirectionalAtoms() (defined in OpenMD::SimInfo)	OpenMD::SimInfo	inline
usesElectrostaticAtoms() (defined in OpenMD::SimInfo)	OpenMD::SimInfo	inline
usesFluctuatingCharges() (defined in OpenMD::SimInfo)	OpenMD::SimInfo	inline
~SimInfo() (defined in OpenMD::SimInfo)	OpenMD::SimInfo	virtual