OpenMD 3.0
Molecular Dynamics in the Open
Loading...
Searching...
No Matches
OpenMD::Snapshot Member List

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::Snapshotstatic
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::Snapshotinline
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