OpenMPCD
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Namespaces | |
OpenMPCD::ImplementationDetails | |
Namespace for implementation details that do not have to concern the users of the main functionality. | |
Functions | |
unsigned int | OpenMPCD::ImplementationDetails::getCollisionCellIndex (const Vector3D< MPCParticlePositionType > &position, const unsigned int boxSizeX, const unsigned int boxSizeY, const unsigned int boxSizeZ) |
Returns the collision cell index for the given position. More... | |
void | OpenMPCD::ImplementationDetails::sortIntoCollisionCellsLeesEdwards (const unsigned int particleID, const MPCParticlePositionType *const gridShift_, const FP shearRate, const FP mpcTime, const MPCParticlePositionType *const positions, MPCParticleVelocityType *const velocities, MPCParticleVelocityType *const velocityCorrections, unsigned int *const collisionCellIndices, const unsigned int boxSizeX, const unsigned int boxSizeY, const unsigned int boxSizeZ) |
Sorts the given particle into the collision cells, temporarily applying Lees-Edwards boundary conditions. More... | |
void | OpenMPCD::ImplementationDetails::collisionCellContributions (const unsigned int particleCount, const MPCParticleVelocityType *const velocities, const unsigned int *const collisionCellIndices, MPCParticleVelocityType *const collisionCellMomenta, FP *const collisionCellMasses, const FP particleMass) |
Computes the collision cell mass and momentum contributions by the given particles. More... | |
Vector3D< MPCParticleVelocityType > | OpenMPCD::ImplementationDetails::getCollisionCellCenterOfMassMomentum (const unsigned int collisionCellIndex, const MPCParticleVelocityType *const collisionCellMomenta) |
Returns the center-of-mass momentum of a collision cell. More... | |
Vector3D< MPCParticleVelocityType > | OpenMPCD::ImplementationDetails::getCollisionCellCenterOfMassVelocity (const unsigned int collisionCellIndex, const MPCParticleVelocityType *const collisionCellMomenta, const FP *const collisionCellMasses) |
Returns the center-of-mass velocity of a collision cell. More... | |
void | OpenMPCD::ImplementationDetails::collisionCellStochasticRotationStep1 (const unsigned int particleCount, MPCParticleVelocityType *const velocities, const FP particleMass, const unsigned int *const collisionCellIndices, const MPCParticleVelocityType *const collisionCellMomenta, const FP *const collisionCellMasses, const MPCParticlePositionType *const collisionCellRotationAxes, const FP collisionAngle, FP *const collisionCellFrameInternalKineticEnergies, unsigned int *const collisionCellParticleCounts) |
Applies the first step of the SRD rotation to the given particles. More... | |
void | OpenMPCD::ImplementationDetails::collisionCellStochasticRotationStep2 (const unsigned int particleCount, MPCParticleVelocityType *const velocities, const unsigned int *const collisionCellIndices, const MPCParticleVelocityType *const collisionCellMomenta, const FP *const collisionCellMasses, const FP *const collisionCellVelocityScalings) |
Applies the first step of the SRD rotation to the given particles. More... | |
void | OpenMPCD::ImplementationDetails::undoLeesEdwardsVelocityCorrections (const unsigned int particleCount, MPCParticleVelocityType *const velocities, const MPCParticleVelocityType *const velocityCorrections) |
Undoes the velocity corrections applied by sortIntoCollisionCellsLeesEdwards . More... | |
Declares various functions that are needed in MPCD.
Definition in file ImplementationDetails/Simulation.hpp.