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 |