- Generated on Thu Dec 28 2023 13:23:04 for OpenMD by
1.10.0
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OpenMD 3.0
Molecular Dynamics in the Open
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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::Molecule | inline |
| beginBend(std::vector< Bend * >::iterator &i) (defined in OpenMD::Molecule) | OpenMD::Molecule | inline |
| beginBond(std::vector< Bond * >::iterator &i) (defined in OpenMD::Molecule) | OpenMD::Molecule | inline |
| beginConstraintElem(std::vector< ConstraintElem * >::iterator &i) (defined in OpenMD::Molecule) | OpenMD::Molecule | inline |
| beginConstraintPair(std::vector< ConstraintPair * >::iterator &i) (defined in OpenMD::Molecule) | OpenMD::Molecule | inline |
| beginCutoffGroup(std::vector< CutoffGroup * >::iterator &i) (defined in OpenMD::Molecule) | OpenMD::Molecule | inline |
| beginFluctuatingCharge(std::vector< Atom * >::iterator &i) (defined in OpenMD::Molecule) | OpenMD::Molecule | inline |
| beginHBondAcceptor(std::vector< Atom * >::iterator &i) (defined in OpenMD::Molecule) | OpenMD::Molecule | inline |
| beginHBondDonor(std::vector< HBondDonor * >::iterator &i) (defined in OpenMD::Molecule) | OpenMD::Molecule | inline |
| beginIntegrableObject(std::vector< StuntDouble * >::iterator &i) (defined in OpenMD::Molecule) | OpenMD::Molecule | inline |
| beginInversion(std::vector< Inversion * >::iterator &i) (defined in OpenMD::Molecule) | OpenMD::Molecule | inline |
| beginRigidBody(std::vector< RigidBody * >::iterator &i) (defined in OpenMD::Molecule) | OpenMD::Molecule | inline |
| beginTorsion(std::vector< Torsion * >::iterator &i) (defined in OpenMD::Molecule) | OpenMD::Molecule | inline |
| 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::Molecule | inline |
| 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::Molecule | inline |
| getCom() | OpenMD::Molecule | |
| getCom(int snapshotNo) | OpenMD::Molecule | |
| getComVel() | OpenMD::Molecule | |
| getGlobalIndex() | OpenMD::Molecule | inline |
| getMass() | OpenMD::Molecule | |
| getMoleculeName() (defined in OpenMD::Molecule) | OpenMD::Molecule | inline |
| getNAtoms() | OpenMD::Molecule | inline |
| getNBends() | OpenMD::Molecule | inline |
| getNBonds() | OpenMD::Molecule | inline |
| getNConstraintPairs() | OpenMD::Molecule | inline |
| getNCutoffGroups() | OpenMD::Molecule | inline |
| getNFluctuatingCharges() | OpenMD::Molecule | inline |
| getNHBondAcceptors() | OpenMD::Molecule | inline |
| getNHBondDonors() | OpenMD::Molecule | inline |
| getNIntegrableObjects() | OpenMD::Molecule | inline |
| getNInversions() | OpenMD::Molecule | inline |
| getNRigidBodies() | OpenMD::Molecule | inline |
| getNTorsions() | OpenMD::Molecule | inline |
| 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::Molecule | inline |
| getRigidBodyAt(unsigned int i) (defined in OpenMD::Molecule) | OpenMD::Molecule | inline |
| getStampId() | OpenMD::Molecule | inline |
| getType() | OpenMD::Molecule | inline |
| 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::Molecule | inline |
| nextBend(std::vector< Bend * >::iterator &i) (defined in OpenMD::Molecule) | OpenMD::Molecule | inline |
| nextBond(std::vector< Bond * >::iterator &i) (defined in OpenMD::Molecule) | OpenMD::Molecule | inline |
| nextConstraintElem(std::vector< ConstraintElem * >::iterator &i) (defined in OpenMD::Molecule) | OpenMD::Molecule | inline |
| nextConstraintPair(std::vector< ConstraintPair * >::iterator &i) (defined in OpenMD::Molecule) | OpenMD::Molecule | inline |
| nextCutoffGroup(std::vector< CutoffGroup * >::iterator &i) (defined in OpenMD::Molecule) | OpenMD::Molecule | inline |
| nextFluctuatingCharge(std::vector< Atom * >::iterator &i) (defined in OpenMD::Molecule) | OpenMD::Molecule | inline |
| nextHBondAcceptor(std::vector< Atom * >::iterator &i) (defined in OpenMD::Molecule) | OpenMD::Molecule | inline |
| nextHBondDonor(std::vector< HBondDonor * >::iterator &i) (defined in OpenMD::Molecule) | OpenMD::Molecule | inline |
| nextIntegrableObject(std::vector< StuntDouble * >::iterator &i) (defined in OpenMD::Molecule) | OpenMD::Molecule | inline |
| nextInversion(std::vector< Inversion * >::iterator &i) (defined in OpenMD::Molecule) | OpenMD::Molecule | inline |
| nextRigidBody(std::vector< RigidBody * >::iterator &i) (defined in OpenMD::Molecule) | OpenMD::Molecule | inline |
| nextTorsion(std::vector< Torsion * >::iterator &i) (defined in OpenMD::Molecule) | OpenMD::Molecule | inline |
| operator<< (defined in OpenMD::Molecule) | OpenMD::Molecule | friend |
| 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::Molecule | inline |
| setGlobalIndex(int index) | OpenMD::Molecule | inline |
| TorsionIterator typedef (defined in OpenMD::Molecule) | OpenMD::Molecule | |
| ~Molecule() (defined in OpenMD::Molecule) | OpenMD::Molecule | virtual |
1.10.0