OpenMD 3.1
Molecular Dynamics in the Open
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OpenMD::Molecule Member List

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

addAtom(Atom *atom)OpenMD::Molecule
addBend(Bend *bend)OpenMD::Molecule
addBond(Bond *bond)OpenMD::Molecule
addConstraintElem(ConstraintElem *consElem) (defined in OpenMD::Molecule)OpenMD::Molecule
addConstraintPair(ConstraintPair *consPair) (defined in OpenMD::Molecule)OpenMD::Molecule
addCutoffGroup(CutoffGroup *cp)OpenMD::Molecule
addInversion(Inversion *inversion)OpenMD::Molecule
addProperty(std::shared_ptr< GenericData > genData)OpenMD::Molecule
addRigidBody(RigidBody *rb)OpenMD::Molecule
addTorsion(Torsion *torsion)OpenMD::Molecule
AtomIterator typedef (defined in OpenMD::Molecule)OpenMD::Molecule
beginAtom(std::vector< Atom * >::iterator &i) (defined in OpenMD::Molecule)OpenMD::Moleculeinline
beginBend(std::vector< Bend * >::iterator &i) (defined in OpenMD::Molecule)OpenMD::Moleculeinline
beginBond(std::vector< Bond * >::iterator &i) (defined in OpenMD::Molecule)OpenMD::Moleculeinline
beginConstraintElem(std::vector< ConstraintElem * >::iterator &i) (defined in OpenMD::Molecule)OpenMD::Moleculeinline
beginConstraintPair(std::vector< ConstraintPair * >::iterator &i) (defined in OpenMD::Molecule)OpenMD::Moleculeinline
beginCutoffGroup(std::vector< CutoffGroup * >::iterator &i) (defined in OpenMD::Molecule)OpenMD::Moleculeinline
beginFluctuatingCharge(std::vector< Atom * >::iterator &i) (defined in OpenMD::Molecule)OpenMD::Moleculeinline
beginHBondAcceptor(std::vector< Atom * >::iterator &i) (defined in OpenMD::Molecule)OpenMD::Moleculeinline
beginHBondDonor(std::vector< HBondDonor * >::iterator &i) (defined in OpenMD::Molecule)OpenMD::Moleculeinline
beginIntegrableObject(std::vector< StuntDouble * >::iterator &i) (defined in OpenMD::Molecule)OpenMD::Moleculeinline
beginInversion(std::vector< Inversion * >::iterator &i) (defined in OpenMD::Molecule)OpenMD::Moleculeinline
beginRigidBody(std::vector< RigidBody * >::iterator &i) (defined in OpenMD::Molecule)OpenMD::Moleculeinline
beginTorsion(std::vector< Torsion * >::iterator &i) (defined in OpenMD::Molecule)OpenMD::Moleculeinline
BendIterator typedef (defined in OpenMD::Molecule)OpenMD::Molecule
BondIterator typedef (defined in OpenMD::Molecule)OpenMD::Molecule
complete() (defined in OpenMD::Molecule)OpenMD::Molecule
ConstraintElemIterator typedef (defined in OpenMD::Molecule)OpenMD::Molecule
constrainTotalCharge() (defined in OpenMD::Molecule)OpenMD::Moleculeinline
ConstraintPairIterator typedef (defined in OpenMD::Molecule)OpenMD::Molecule
CutoffGroupIterator typedef (defined in OpenMD::Molecule)OpenMD::Molecule
FluctuatingChargeIterator typedef (defined in OpenMD::Molecule)OpenMD::Molecule
getAtomAt(unsigned int i) (defined in OpenMD::Molecule)OpenMD::Moleculeinline
getCom()OpenMD::Molecule
getCom(int snapshotNo)OpenMD::Molecule
getComVel()OpenMD::Molecule
getGlobalIndex()OpenMD::Moleculeinline
getMass()OpenMD::Molecule
getMoleculeName() (defined in OpenMD::Molecule)OpenMD::Moleculeinline
getNAtoms()OpenMD::Moleculeinline
getNBends()OpenMD::Moleculeinline
getNBonds()OpenMD::Moleculeinline
getNConstraintPairs()OpenMD::Moleculeinline
getNCutoffGroups()OpenMD::Moleculeinline
getNFluctuatingCharges()OpenMD::Moleculeinline
getNHBondAcceptors()OpenMD::Moleculeinline
getNHBondDonors()OpenMD::Moleculeinline
getNIntegrableObjects()OpenMD::Moleculeinline
getNInversions()OpenMD::Moleculeinline
getNRigidBodies()OpenMD::Moleculeinline
getNTorsions()OpenMD::Moleculeinline
getPotential()OpenMD::Molecule
getPrevCom()OpenMD::Molecule
getProperties()OpenMD::Molecule
getPropertyByName(const std::string &propName)OpenMD::Molecule
getPropertyNames()OpenMD::Molecule
getRegion() (defined in OpenMD::Molecule)OpenMD::Moleculeinline
getRigidBodyAt(unsigned int i) (defined in OpenMD::Molecule)OpenMD::Moleculeinline
getStampId()OpenMD::Moleculeinline
getType()OpenMD::Moleculeinline
HBondAcceptorIterator typedef (defined in OpenMD::Molecule)OpenMD::Molecule
HBondDonorIterator typedef (defined in OpenMD::Molecule)OpenMD::Molecule
IntegrableObjectIterator typedef (defined in OpenMD::Molecule)OpenMD::Molecule
InversionIterator typedef (defined in OpenMD::Molecule)OpenMD::Molecule
Molecule(int stampId, int globalIndex, const std::string &molName, int region) (defined in OpenMD::Molecule)OpenMD::Molecule
moveCom(const Vector3d &delta)OpenMD::Molecule
nextAtom(std::vector< Atom * >::iterator &i) (defined in OpenMD::Molecule)OpenMD::Moleculeinline
nextBend(std::vector< Bend * >::iterator &i) (defined in OpenMD::Molecule)OpenMD::Moleculeinline
nextBond(std::vector< Bond * >::iterator &i) (defined in OpenMD::Molecule)OpenMD::Moleculeinline
nextConstraintElem(std::vector< ConstraintElem * >::iterator &i) (defined in OpenMD::Molecule)OpenMD::Moleculeinline
nextConstraintPair(std::vector< ConstraintPair * >::iterator &i) (defined in OpenMD::Molecule)OpenMD::Moleculeinline
nextCutoffGroup(std::vector< CutoffGroup * >::iterator &i) (defined in OpenMD::Molecule)OpenMD::Moleculeinline
nextFluctuatingCharge(std::vector< Atom * >::iterator &i) (defined in OpenMD::Molecule)OpenMD::Moleculeinline
nextHBondAcceptor(std::vector< Atom * >::iterator &i) (defined in OpenMD::Molecule)OpenMD::Moleculeinline
nextHBondDonor(std::vector< HBondDonor * >::iterator &i) (defined in OpenMD::Molecule)OpenMD::Moleculeinline
nextIntegrableObject(std::vector< StuntDouble * >::iterator &i) (defined in OpenMD::Molecule)OpenMD::Moleculeinline
nextInversion(std::vector< Inversion * >::iterator &i) (defined in OpenMD::Molecule)OpenMD::Moleculeinline
nextRigidBody(std::vector< RigidBody * >::iterator &i) (defined in OpenMD::Molecule)OpenMD::Moleculeinline
nextTorsion(std::vector< Torsion * >::iterator &i) (defined in OpenMD::Molecule)OpenMD::Moleculeinline
operator<< (defined in OpenMD::Molecule)OpenMD::Moleculefriend
removeProperty(const std::string &propName)OpenMD::Molecule
RigidBodyIterator typedef (defined in OpenMD::Molecule)OpenMD::Molecule
setCom(const Vector3d &newCom)OpenMD::Molecule
setConstrainTotalCharge(bool ctc) (defined in OpenMD::Molecule)OpenMD::Moleculeinline
setGlobalIndex(int index)OpenMD::Moleculeinline
TorsionIterator typedef (defined in OpenMD::Molecule)OpenMD::Molecule
~Molecule() (defined in OpenMD::Molecule)OpenMD::Moleculevirtual