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OpenMD 3.1
Molecular Dynamics in the Open
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This is the complete list of members for OpenMD::Snapshot, including all inherited members.
| atomData (defined in OpenMD::Snapshot) | OpenMD::Snapshot | |
| cgData (defined in OpenMD::Snapshot) | OpenMD::Snapshot | |
| clearDerivedProperties() | OpenMD::Snapshot | |
| frameData (defined in OpenMD::Snapshot) | OpenMD::Snapshot | |
| getBarostat() (defined in OpenMD::Snapshot) | OpenMD::Snapshot | |
| getBendPotential() (defined in OpenMD::Snapshot) | OpenMD::Snapshot | |
| getBondPotential() (defined in OpenMD::Snapshot) | OpenMD::Snapshot | |
| getBoundingBox() | OpenMD::Snapshot | |
| getChargeMomentum() (defined in OpenMD::Snapshot) | OpenMD::Snapshot | |
| getCOM() (defined in OpenMD::Snapshot) | OpenMD::Snapshot | |
| getCOMvel() (defined in OpenMD::Snapshot) | OpenMD::Snapshot | |
| getCOMw() (defined in OpenMD::Snapshot) | OpenMD::Snapshot | |
| getConductiveHeatFlux() (defined in OpenMD::Snapshot) | OpenMD::Snapshot | |
| getConservedQuantity() (defined in OpenMD::Snapshot) | OpenMD::Snapshot | |
| getConvectiveHeatFlux() (defined in OpenMD::Snapshot) | OpenMD::Snapshot | |
| getElectronicKineticEnergy() (defined in OpenMD::Snapshot) | OpenMD::Snapshot | |
| getElectronicTemperature() (defined in OpenMD::Snapshot) | OpenMD::Snapshot | |
| getElectronicThermostat() (defined in OpenMD::Snapshot) | OpenMD::Snapshot | |
| getExcludedPotential() (defined in OpenMD::Snapshot) | OpenMD::Snapshot | |
| getExcludedPotentials() (defined in OpenMD::Snapshot) | OpenMD::Snapshot | |
| getFrameDataSize() | OpenMD::Snapshot | static |
| getGyrationalVolume() (defined in OpenMD::Snapshot) | OpenMD::Snapshot | |
| getHeatFlux() (defined in OpenMD::Snapshot) | OpenMD::Snapshot | |
| getHmat() | OpenMD::Snapshot | |
| getHullVolume() (defined in OpenMD::Snapshot) | OpenMD::Snapshot | |
| getID() | OpenMD::Snapshot | |
| getInertiaTensor() (defined in OpenMD::Snapshot) | OpenMD::Snapshot | |
| getInvBoundingBox() | OpenMD::Snapshot | |
| getInversionPotential() (defined in OpenMD::Snapshot) | OpenMD::Snapshot | |
| getInvHmat() | OpenMD::Snapshot | |
| getKineticEnergy() (defined in OpenMD::Snapshot) | OpenMD::Snapshot | |
| getLongRangePotential() (defined in OpenMD::Snapshot) | OpenMD::Snapshot | |
| getLongRangePotentials() (defined in OpenMD::Snapshot) | OpenMD::Snapshot | |
| getNetCharge() (defined in OpenMD::Snapshot) | OpenMD::Snapshot | |
| getNumberOfAtoms() | OpenMD::Snapshot | |
| getNumberOfCutoffGroups() | OpenMD::Snapshot | |
| getNumberOfRigidBodies() | OpenMD::Snapshot | |
| getPotentialEnergy() (defined in OpenMD::Snapshot) | OpenMD::Snapshot | |
| getPressure() (defined in OpenMD::Snapshot) | OpenMD::Snapshot | |
| getPressureTensor() (defined in OpenMD::Snapshot) | OpenMD::Snapshot | |
| getRawPotential() (defined in OpenMD::Snapshot) | OpenMD::Snapshot | |
| getReciprocalPotential() (defined in OpenMD::Snapshot) | OpenMD::Snapshot | |
| getRestraintPotential() (defined in OpenMD::Snapshot) | OpenMD::Snapshot | |
| getRotationalKineticEnergy() (defined in OpenMD::Snapshot) | OpenMD::Snapshot | |
| getSelectionPotentials() (defined in OpenMD::Snapshot) | OpenMD::Snapshot | |
| getSelfPotential() (defined in OpenMD::Snapshot) | OpenMD::Snapshot | |
| getSelfPotentials() (defined in OpenMD::Snapshot) | OpenMD::Snapshot | |
| getShortRangePotential() (defined in OpenMD::Snapshot) | OpenMD::Snapshot | |
| getSize() (defined in OpenMD::Snapshot) | OpenMD::Snapshot | |
| getSPFData() (defined in OpenMD::Snapshot) | OpenMD::Snapshot | |
| getSurfacePotential() (defined in OpenMD::Snapshot) | OpenMD::Snapshot | |
| getSystemDipole() (defined in OpenMD::Snapshot) | OpenMD::Snapshot | |
| getSystemQuadrupole() (defined in OpenMD::Snapshot) | OpenMD::Snapshot | |
| getTemperature() (defined in OpenMD::Snapshot) | OpenMD::Snapshot | |
| getThermostat() (defined in OpenMD::Snapshot) | OpenMD::Snapshot | |
| getTime() (defined in OpenMD::Snapshot) | OpenMD::Snapshot | |
| getTorsionPotential() (defined in OpenMD::Snapshot) | OpenMD::Snapshot | |
| getTotalEnergy() (defined in OpenMD::Snapshot) | OpenMD::Snapshot | |
| getTranslationalKineticEnergy() (defined in OpenMD::Snapshot) | OpenMD::Snapshot | |
| getVirialTensor() (defined in OpenMD::Snapshot) | OpenMD::Snapshot | |
| getVolume() (defined in OpenMD::Snapshot) | OpenMD::Snapshot | |
| getXYarea() (defined in OpenMD::Snapshot) | OpenMD::Snapshot | |
| getXZarea() (defined in OpenMD::Snapshot) | OpenMD::Snapshot | |
| getYZarea() (defined in OpenMD::Snapshot) | OpenMD::Snapshot | |
| hasBoundingBox (defined in OpenMD::Snapshot) | OpenMD::Snapshot | |
| hasChargeMomentum (defined in OpenMD::Snapshot) | OpenMD::Snapshot | |
| hasCOM (defined in OpenMD::Snapshot) | OpenMD::Snapshot | |
| hasCOMvel (defined in OpenMD::Snapshot) | OpenMD::Snapshot | |
| hasCOMw (defined in OpenMD::Snapshot) | OpenMD::Snapshot | |
| hasConvectiveHeatFlux (defined in OpenMD::Snapshot) | OpenMD::Snapshot | |
| hasElectronicKineticEnergy (defined in OpenMD::Snapshot) | OpenMD::Snapshot | |
| hasElectronicTemperature (defined in OpenMD::Snapshot) | OpenMD::Snapshot | |
| hasExcludedPotential (defined in OpenMD::Snapshot) | OpenMD::Snapshot | |
| hasGyrationalVolume (defined in OpenMD::Snapshot) | OpenMD::Snapshot | |
| hasHullVolume (defined in OpenMD::Snapshot) | OpenMD::Snapshot | |
| hasInertiaTensor (defined in OpenMD::Snapshot) | OpenMD::Snapshot | |
| hasKineticEnergy (defined in OpenMD::Snapshot) | OpenMD::Snapshot | |
| hasLongRangePotential (defined in OpenMD::Snapshot) | OpenMD::Snapshot | |
| hasNetCharge (defined in OpenMD::Snapshot) | OpenMD::Snapshot | |
| hasPotentialEnergy (defined in OpenMD::Snapshot) | OpenMD::Snapshot | |
| hasPressure (defined in OpenMD::Snapshot) | OpenMD::Snapshot | |
| hasPressureTensor (defined in OpenMD::Snapshot) | OpenMD::Snapshot | |
| hasRotationalKineticEnergy (defined in OpenMD::Snapshot) | OpenMD::Snapshot | |
| hasSelfPotential (defined in OpenMD::Snapshot) | OpenMD::Snapshot | |
| hasShortRangePotential (defined in OpenMD::Snapshot) | OpenMD::Snapshot | |
| hasSystemDipole (defined in OpenMD::Snapshot) | OpenMD::Snapshot | |
| hasSystemQuadrupole (defined in OpenMD::Snapshot) | OpenMD::Snapshot | |
| hasTemperature (defined in OpenMD::Snapshot) | OpenMD::Snapshot | |
| hasTotalEnergy (defined in OpenMD::Snapshot) | OpenMD::Snapshot | |
| hasTranslationalKineticEnergy (defined in OpenMD::Snapshot) | OpenMD::Snapshot | |
| hasVolume (defined in OpenMD::Snapshot) | OpenMD::Snapshot | |
| hasXYarea (defined in OpenMD::Snapshot) | OpenMD::Snapshot | |
| hasXZarea (defined in OpenMD::Snapshot) | OpenMD::Snapshot | |
| hasYZarea (defined in OpenMD::Snapshot) | OpenMD::Snapshot | |
| increaseTime(const RealType dt) (defined in OpenMD::Snapshot) | OpenMD::Snapshot | |
| rigidbodyData (defined in OpenMD::Snapshot) | OpenMD::Snapshot | |
| scaleVector(Vector3d &v) | OpenMD::Snapshot | inline |
| setBarostat(const Mat3x3d &barostat) (defined in OpenMD::Snapshot) | OpenMD::Snapshot | |
| setBendPotential(const RealType bp) (defined in OpenMD::Snapshot) | OpenMD::Snapshot | |
| setBondPotential(const RealType bp) (defined in OpenMD::Snapshot) | OpenMD::Snapshot | |
| setBoundingBox(const Mat3x3d &m) | OpenMD::Snapshot | |
| setChargeMomentum(const RealType cMom) (defined in OpenMD::Snapshot) | OpenMD::Snapshot | |
| setCOM(const Vector3d &com) (defined in OpenMD::Snapshot) | OpenMD::Snapshot | |
| setCOMvel(const Vector3d &comVel) (defined in OpenMD::Snapshot) | OpenMD::Snapshot | |
| setCOMw(const Vector3d &comw) (defined in OpenMD::Snapshot) | OpenMD::Snapshot | |
| setConductiveHeatFlux(const Vector3d &chf) (defined in OpenMD::Snapshot) | OpenMD::Snapshot | |
| setConservedQuantity(const RealType cq) (defined in OpenMD::Snapshot) | OpenMD::Snapshot | |
| setConvectiveHeatFlux(const Vector3d &chf) (defined in OpenMD::Snapshot) | OpenMD::Snapshot | |
| setElectronicKineticEnergy(const RealType eke) (defined in OpenMD::Snapshot) | OpenMD::Snapshot | |
| setElectronicTemperature(const RealType eTemp) (defined in OpenMD::Snapshot) | OpenMD::Snapshot | |
| setElectronicThermostat(const pair< RealType, RealType > &eThermostat) (defined in OpenMD::Snapshot) | OpenMD::Snapshot | |
| setExcludedPotentials(const potVec exPot) (defined in OpenMD::Snapshot) | OpenMD::Snapshot | |
| setGyrationalVolume(const RealType gv) (defined in OpenMD::Snapshot) | OpenMD::Snapshot | |
| setHmat(const Mat3x3d &m) | OpenMD::Snapshot | |
| setHullVolume(const RealType hv) (defined in OpenMD::Snapshot) | OpenMD::Snapshot | |
| setID(int id) | OpenMD::Snapshot | |
| setInertiaTensor(const Mat3x3d &inertiaTensor) (defined in OpenMD::Snapshot) | OpenMD::Snapshot | |
| setInversionPotential(const RealType ip) (defined in OpenMD::Snapshot) | OpenMD::Snapshot | |
| setKineticEnergy(const RealType ke) (defined in OpenMD::Snapshot) | OpenMD::Snapshot | |
| setLongRangePotentials(const potVec lrPot) (defined in OpenMD::Snapshot) | OpenMD::Snapshot | |
| setNetCharge(const RealType nChg) (defined in OpenMD::Snapshot) | OpenMD::Snapshot | |
| setOrthoTolerance(RealType orthoTolerance) (defined in OpenMD::Snapshot) | OpenMD::Snapshot | |
| setPotentialEnergy(const RealType pe) (defined in OpenMD::Snapshot) | OpenMD::Snapshot | |
| setPressure(const RealType pressure) (defined in OpenMD::Snapshot) | OpenMD::Snapshot | |
| setPressureTensor(const Mat3x3d &pressureTensor) (defined in OpenMD::Snapshot) | OpenMD::Snapshot | |
| setRawPotential(const RealType rp) (defined in OpenMD::Snapshot) | OpenMD::Snapshot | |
| setReciprocalPotential(const RealType rp) (defined in OpenMD::Snapshot) | OpenMD::Snapshot | |
| setRestraintPotential(const RealType rp) (defined in OpenMD::Snapshot) | OpenMD::Snapshot | |
| setRotationalKineticEnergy(const RealType rke) (defined in OpenMD::Snapshot) | OpenMD::Snapshot | |
| setSelectionPotentials(const potVec selPot) (defined in OpenMD::Snapshot) | OpenMD::Snapshot | |
| setSelfPotentials(const potVec sp) (defined in OpenMD::Snapshot) | OpenMD::Snapshot | |
| setSPFData(std::shared_ptr< SPFData > data) (defined in OpenMD::Snapshot) | OpenMD::Snapshot | |
| setSurfacePotential(const RealType sp) (defined in OpenMD::Snapshot) | OpenMD::Snapshot | |
| setSystemDipole(const Vector3d &bd) (defined in OpenMD::Snapshot) | OpenMD::Snapshot | |
| setSystemQuadrupole(const Mat3x3d &bq) (defined in OpenMD::Snapshot) | OpenMD::Snapshot | |
| setTemperature(const RealType temp) (defined in OpenMD::Snapshot) | OpenMD::Snapshot | |
| setThermostat(const pair< RealType, RealType > &thermostat) (defined in OpenMD::Snapshot) | OpenMD::Snapshot | |
| setTime(const RealType time) (defined in OpenMD::Snapshot) | OpenMD::Snapshot | |
| setTorsionPotential(const RealType tp) (defined in OpenMD::Snapshot) | OpenMD::Snapshot | |
| setTotalEnergy(const RealType te) (defined in OpenMD::Snapshot) | OpenMD::Snapshot | |
| setTranslationalKineticEnergy(const RealType tke) (defined in OpenMD::Snapshot) | OpenMD::Snapshot | |
| setVirialTensor(const Mat3x3d &virialTensor) (defined in OpenMD::Snapshot) | OpenMD::Snapshot | |
| setVolume(const RealType vol) (defined in OpenMD::Snapshot) | OpenMD::Snapshot | |
| Snapshot(int nAtoms, int nRigidbodies, int nCutoffGroups, bool usePBC) (defined in OpenMD::Snapshot) | OpenMD::Snapshot | |
| Snapshot(int nAtoms, int nRigidbodies, int nCutoffGroups, int atomStorageLayout, int rigidBodyStorageLayout, int cutoffGroupStorageLayout, bool usePBC) (defined in OpenMD::Snapshot) | OpenMD::Snapshot | |
| wrapVector(Vector3d &v) | OpenMD::Snapshot |