 |
|
|
|
This adds on the hierarchical grid code for 3D problems. More...
#include <Mercury3D.h>
Inheritance diagram for Mercury3D:Public Member Functions | |
| Mercury3D () | |
| This is the default constructor. All it does is set sensible defaults. More... | |
| Mercury3D (const DPMBase &other) | |
| Copy-constructor for creates an Mercury3D problem from an existing MD problem. More... | |
| Mercury3D (const Mercury3D &other) | |
| Copy-constructor. More... | |
| void | constructor () |
| Function that sets the SystemDimension and ParticleDimension to 3. More... | |
| std::vector< BaseParticle * > | hGridFindParticleContacts (const BaseParticle *obj) override |
| Returns all particles that have a contact with a given particle. More... | |
| Public Member Functions inherited from MercuryBase | |
| MercuryBase () | |
| This is the default constructor. It sets sensible defaults. More... | |
| ~MercuryBase () override | |
| This is the default destructor. More... | |
| MercuryBase (const MercuryBase &mercuryBase) | |
| Copy-constructor. More... | |
| void | constructor () |
| This is the actual constructor, it is called do both constructors above. More... | |
| void | hGridActionsBeforeTimeLoop () override |
| This sets up the broad phase information, has to be done at this stage because it requires the particle size. More... | |
| void | hGridActionsBeforeTimeStep () override |
| Performs all necessary actions before a time-step, like updating the particles and resetting all the bucket information, etc. More... | |
| void | read (std::istream &is, ReadOptions opt=ReadOptions::ReadAll) override |
| Reads the MercuryBase from an input stream, for example a restart file. More... | |
| void | write (std::ostream &os, bool writeAllParticles=true) const override |
| Writes all data into a restart file. More... | |
| Mdouble | getHGridCurrentMaxRelativeDisplacement () const |
| Returns hGridCurrentMaxRelativeDisplacement_. More... | |
| Mdouble | getHGridTotalCurrentMaxRelativeDisplacement () const |
| Returns hGridTotalCurrentMaxRelativeDisplacement_. More... | |
| void | setHGridUpdateEachTimeStep (bool updateEachTimeStep) |
| Sets whether or not the HGrid must be updated every time step. More... | |
| bool | getHGridUpdateEachTimeStep () const final |
| Gets whether or not the HGrid is updated every time step. More... | |
| void | setHGridMaxLevels (unsigned int HGridMaxLevels) |
| Sets the maximum number of levels of the HGrid in this MercuryBase. More... | |
| unsigned int | getHGridMaxLevels () const |
| Gets the maximum number of levels of the HGrid in this MercuryBase. More... | |
| HGridMethod | getHGridMethod () const |
| Gets whether the HGrid in this MercuryBase is BOTTOMUP or TOPDOWN. More... | |
| void | setHGridMethod (HGridMethod hGridMethod) |
| Sets the HGridMethod to either BOTTOMUP or TOPDOWN. More... | |
| HGridDistribution | getHGridDistribution () const |
| Gets how the sizes of the cells of different levels are distributed. More... | |
| void | setHGridDistribution (HGridDistribution hGridDistribution) |
| Sets how the sizes of the cells of different levels are distributed. More... | |
| Mdouble | getHGridCellOverSizeRatio () const |
| Gets the ratio of the smallest cell over the smallest particle. More... | |
| void | setHGridCellOverSizeRatio (Mdouble cellOverSizeRatio) |
| Sets the ratio of the smallest cell over the smallest particle. More... | |
| bool | hGridNeedsRebuilding () |
| Gets if the HGrid needs rebuilding before anything else happens. More... | |
| virtual unsigned int | getHGridTargetNumberOfBuckets () const |
| Gets the desired number of buckets, which is the maximum of the number of particles and 10. More... | |
| virtual Mdouble | getHGridTargetMinInteractionRadius () const |
| Gets the desired size of the smallest cells of the HGrid. More... | |
| virtual Mdouble | getHGridTargetMaxInteractionRadius () const |
| Gets the desired size of the largest cells of the HGrid. More... | |
| bool | checkParticleForInteraction (const BaseParticle &P) final |
| Checks if given BaseParticle has an interaction with a BaseWall or other BaseParticle. More... | |
| bool | checkParticleForInteractionLocal (const BaseParticle &P) final |
| Checks if the given BaseParticle has an interaction with a BaseWall or other BaseParticles in a local domain. More... | |
| virtual Mdouble | userHGridCellSize (unsigned int level) |
| Virtual function that enables inheriting classes to implement a function to let the user set the cell size of the HGrid. More... | |
| void | hGridInfo (std::ostream &os=std::cout) const |
| Writes the info of the HGrid to the screen in a nice format. More... | |
| Public Member Functions inherited from DPMBase | |
| void | constructor () |
| A function which initialises the member variables to default values, so that the problem can be solved off the shelf; sets up a basic two dimensional problem which can be solved off the shelf. It is called in the constructor DPMBase(). More... | |
| DPMBase () | |
| Constructor that calls the "void constructor()". More... | |
| DPMBase (const DPMBase &other) | |
| Copy constructor type-2. More... | |
| virtual | ~DPMBase () |
| virtual destructor More... | |
| void | autoNumber () |
| The autoNumber() function calls three functions: setRunNumber(), readRunNumberFromFile() and incrementRunNumberInFile(). More... | |
| std::vector< int > | get1DParametersFromRunNumber (int size_x) const |
| This turns a counter into 1 index, which is a useful feature for performing 1D parameter study. The index run from 1:size_x, while the study number starts at 0 (initially the counter=1 in COUNTER_DONOTDEL) More... | |
| std::vector< int > | get2DParametersFromRunNumber (int size_x, int size_y) const |
| This turns a counter into 2 indices which is a very useful feature for performing a 2D study. The indices run from 1:size_x and 1:size_y, while the study number starts at 0 ( initially the counter=1 in COUNTER_DONOTDEL) More... | |
| std::vector< int > | get3DParametersFromRunNumber (int size_x, int size_y, int size_z) const |
| This turns a counter into 3 indices, which is a useful feature for performing a 3D parameter study. The indices run from 1:size_x, 1:size_y and 1:size_z, while the study number starts at 0 ( initially the counter=1 in COUNTER_DONOTDEL) More... | |
| int | launchNewRun (const char *name, bool quick=false) |
| This launches a code from within this code. Please pass the name of the code to run. More... | |
| void | setRunNumber (int runNumber) |
| This sets the counter/Run number, overriding the defaults. More... | |
| int | getRunNumber () const |
| This returns the current value of the counter (runNumber_) More... | |
| virtual void | decompose () |
| Sends particles from processorId to the root processor. More... | |
| void | solve () |
| The work horse of the code. More... | |
| void | initialiseSolve () |
| Beginning of the solve routine, before time stepping. More... | |
| void | finaliseSolve () |
| End of the solve routine, after time stepping. More... | |
| virtual void | computeOneTimeStep () |
| Performs everything needed for one time step, used in the time-loop of solve(). More... | |
| void | checkSettings () |
| Checks if the essentials are set properly to go ahead with solving the problem. More... | |
| void | forceWriteOutputFiles () |
| Writes output files immediately, even if the current time step was not meant to be written. Also resets the last saved time step. More... | |
| virtual void | writeOutputFiles () |
| Writes simulation data to all the main Mercury files: .data, .ene, .fstat, .xballs and .restart (see the Mercury website for more details regarding these files). More... | |
| void | solve (int argc, char *argv[]) |
| The work horse of the code. Can handle flags from the command line. More... | |
| virtual void | setupInitialConditions () |
| This function allows to set the initial conditions for our problem to be solved, by default particle locations are randomly set. Remember particle properties must also be defined here. More... | |
| virtual void | writeXBallsScript () const |
| This writes a script which can be used to load the xballs problem to display the data just generated. More... | |
| virtual Mdouble | getInfo (const BaseParticle &P) const |
| A virtual function that returns some user-specified information about a particle. More... | |
| ParticleVtkWriter * | getVtkWriter () const |
| virtual void | writeRestartFile () |
| Stores all the particle data for current save time step to a "restart" file, which is a file simply intended to store all the information necessary to "restart" a simulation from a given time step (see also MercuryDPM.org for more information on restart files). More... | |
| void | writeDataFile () |
| void | writeEneFile () |
| void | writeFStatFile () |
| void | fillDomainWithParticles (unsigned N=50) |
| bool | readRestartFile (ReadOptions opt=ReadOptions::ReadAll) |
| Reads all the particle data corresponding to a given, existing . restart file (for more details regarding restart files, refer to the training materials on the MercuryDPM website).Returns true if it is successful, false otherwise. More... | |
| int | readRestartFile (std::string fileName, ReadOptions opt=ReadOptions::ReadAll) |
| The same as readRestartFile(bool), but also reads all the particle data corresponding to the current saved time step. More... | |
| virtual BaseWall * | readUserDefinedWall (const std::string &type) const |
| Allows you to read in a wall defined in a Driver directory; see USER/Luca/ScrewFiller. More... | |
| virtual void | readOld (std::istream &is) |
| Reads all data from a restart file, e.g. domain data and particle data; old version. More... | |
| bool | readDataFile (std::string fileName="", unsigned int format=0) |
| This allows particle data to be reloaded from data files. More... | |
| bool | readParAndIniFiles (std::string fileName) |
| Allows the user to read par.ini files (useful to read files produced by the MDCLR simulation code - external to MercuryDPM) More... | |
| bool | readNextDataFile (unsigned int format=0) |
| Reads the next data file with default format=0. However, one can modify the format based on whether the particle data corresponds to 3D or 2D data- see Visualising data in xballs. More... | |
| void | readNextFStatFile () |
| Reads the next fstat file. More... | |
| bool | findNextExistingDataFile (Mdouble tMin, bool verbose=true) |
| Finds and opens the next data file, if such a file exists. More... | |
| bool | readArguments (int argc, char *argv[]) |
| Can interpret main function input arguments that are passed by the driver codes. More... | |
| bool | checkParticleForInteractionLocalPeriodic (const BaseParticle &P) |
| void | readSpeciesFromDataFile (bool read=true) |
| void | importParticlesAs (ParticleHandler &particleHandler, InteractionHandler &interactionHandler, const ParticleSpecies *species) |
| Copies particles, interactions assigning species from a local simulation to a global one. Useful for the creation of a cluster. More... | |
| MERCURYDPM_DEPRECATED File & | getDataFile () |
| The non const version. Allows one to edit the File::dataFile. More... | |
| MERCURYDPM_DEPRECATED File & | getEneFile () |
| The non const version. Allows to edit the File::eneFile. More... | |
| MERCURYDPM_DEPRECATED File & | getFStatFile () |
| The non const version. Allows to edit the File::fStatFile. More... | |
| MERCURYDPM_DEPRECATED File & | getRestartFile () |
| The non const version. Allows to edit the File::restartFile. More... | |
| MERCURYDPM_DEPRECATED File & | getStatFile () |
| The non const version. Allows to edit the File::statFile. More... | |
| File & | getInteractionFile () |
| Return a reference to the file InteractionsFile. More... | |
| MERCURYDPM_DEPRECATED const File & | getDataFile () const |
| The const version. Does not allow for any editing of the File::dataFile. More... | |
| MERCURYDPM_DEPRECATED const File & | getEneFile () const |
| The const version. Does not allow for any editing of the File::eneFile. More... | |
| MERCURYDPM_DEPRECATED const File & | getFStatFile () const |
| The const version. Does not allow for any editing of the File::fStatFile. More... | |
| MERCURYDPM_DEPRECATED const File & | getRestartFile () const |
| The const version. Does not allow for any editing of the File::restartFile. More... | |
| MERCURYDPM_DEPRECATED const File & | getStatFile () const |
| The const version. Does not allow for any editing of the File::statFile. More... | |
| const File & | getInteractionFile () const |
| const std::string & | getName () const |
| Returns the name of the file. Does not allow to change it though. More... | |
| void | setName (const std::string &name) |
| Allows to set the name of all the files (ene, data, fstat, restart, stat) More... | |
| void | setName (const char *name) |
| Calls setName(std::string) More... | |
| void | setSaveCount (unsigned int saveCount) |
| Sets File::saveCount_ for all files (ene, data, fstat, restart, stat) More... | |
| void | setFileType (FileType fileType) |
| Sets File::fileType_ for all files (ene, data, fstat, restart, stat) More... | |
| void | setOpenMode (std::fstream::openmode openMode) |
| Sets File::openMode_ for all files (ene, data, fstat, restart, stat) More... | |
| void | resetFileCounter () |
| Resets the file counter for each file i.e. for ene, data, fstat, restart, stat) More... | |
| void | closeFiles () |
| Closes all files (ene, data, fstat, restart, stat) that were opened to read or write. More... | |
| void | setLastSavedTimeStep (unsigned int nextSavedTimeStep) |
| Sets the next time step for all the files (ene, data, fstat, restart, stat) at which the data is to be written or saved. More... | |
| Mdouble | getTime () const |
| Returns the current simulation time. More... | |
| Mdouble | getNextTime () const |
| Returns the current simulation time. More... | |
| unsigned int | getNumberOfTimeSteps () const |
| Returns the current counter of time-steps, i.e. the number of time-steps that the simulation has undergone so far. More... | |
| void | setTime (Mdouble time) |
| Sets a new value for the current simulation time. More... | |
| void | setTimeMax (Mdouble newTMax) |
| Sets a new value for the maximum simulation duration. More... | |
| Mdouble | getTimeMax () const |
| Returns the maximum simulation duration. More... | |
| void | setLogarithmicSaveCount (Mdouble logarithmicSaveCountBase) |
| Sets File::logarithmicSaveCount_ for all files (ene, data, fstat, restart, stat) More... | |
| void | setNToWrite (int nToWrite) |
| set the number of elements to write to the screen More... | |
| int | getNToWrite () const |
| get the number of elements to write to the More... | |
| void | setRotation (bool rotation) |
| Sets whether particle rotation is enabled or disabled. More... | |
| bool | getRotation () const |
| Indicates whether particle rotation is enabled or disabled. More... | |
| MERCURYDPM_DEPRECATED void | setWallsWriteVTK (FileType writeWallsVTK) |
| Sets whether walls are written into a VTK file. More... | |
| MERCURYDPM_DEPRECATED void | setWallsWriteVTK (bool) |
| Sets whether walls are written into a VTK file. More... | |
| MERCURYDPM_DEPRECATED void | setInteractionsWriteVTK (bool) |
| Sets whether interactions are written into a VTK file. More... | |
| void | setParticlesWriteVTK (bool writeParticlesVTK) |
| Sets whether particles are written in a VTK file. More... | |
| void | setSuperquadricParticlesWriteVTK (bool writeSuperquadricParticlesVTK) |
| MERCURYDPM_DEPRECATED FileType | getWallsWriteVTK () const |
| Returns whether walls are written in a VTK file. More... | |
| bool | getParticlesWriteVTK () const |
| Returns whether particles are written in a VTK file. More... | |
| bool | getSuperquadricParticlesWriteVTK () const |
| Mdouble | getXMin () const |
| If the length of the problem domain in x-direction is XMax - XMin, then getXMin() returns XMin. More... | |
| Mdouble | getXMax () const |
| If the length of the problem domain in x-direction is XMax - XMin, then getXMax() returns XMax. More... | |
| Mdouble | getYMin () const |
| If the length of the problem domain in y-direction is YMax - YMin, then getYMin() returns YMin. More... | |
| Mdouble | getYMax () const |
| If the length of the problem domain in y-direction is YMax - YMin, then getYMax() returns XMax. More... | |
| Mdouble | getZMin () const |
| If the length of the problem domain in z-direction is ZMax - ZMin, then getZMin() returns ZMin. More... | |
| Mdouble | getZMax () const |
| If the length of the problem domain in z-direction is ZMax - ZMin, then getZMax() returns ZMax. More... | |
| Mdouble | getXCenter () const |
| Mdouble | getYCenter () const |
| Mdouble | getZCenter () const |
| Vec3D | getMin () const |
| Vec3D | getMax () const |
| void | setXMin (Mdouble newXMin) |
| Sets the value of XMin, the lower bound of the problem domain in the x-direction. More... | |
| void | setYMin (Mdouble newYMin) |
| Sets the value of YMin, the lower bound of the problem domain in the y-direction. More... | |
| void | setZMin (Mdouble newZMin) |
| Sets the value of ZMin, the lower bound of the problem domain in the z-direction. More... | |
| void | setXMax (Mdouble newXMax) |
| Sets the value of XMax, the upper bound of the problem domain in the x-direction. More... | |
| void | setYMax (Mdouble newYMax) |
| Sets the value of YMax, the upper bound of the problem domain in the y-direction. More... | |
| void | setZMax (Mdouble newZMax) |
| Sets the value of ZMax, the upper bound of the problem domain in the z-direction. More... | |
| void | setMax (const Vec3D &max) |
| Sets the maximum coordinates of the problem domain. More... | |
| void | setMax (Mdouble, Mdouble, Mdouble) |
| Sets the maximum coordinates of the problem domain. More... | |
| void | setDomain (const Vec3D &min, const Vec3D &max) |
| Sets the minimum coordinates of the problem domain. More... | |
| void | setMin (const Vec3D &min) |
| Sets the minimum coordinates of the problem domain. More... | |
| void | setMin (Mdouble, Mdouble, Mdouble) |
| Sets the minimum coordinates of the problem domain. More... | |
| void | setTimeStep (Mdouble newDt) |
| Sets a new value for the simulation time step. More... | |
| Mdouble | getTimeStep () const |
| Returns the simulation time step. More... | |
| void | setNumberOfOMPThreads (int numberOfOMPThreads) |
| int | getNumberOfOMPThreads () const |
| void | setXBallsColourMode (int newCMode) |
| Set the xballs output mode. More... | |
| int | getXBallsColourMode () const |
| Get the xballs colour mode (CMode). More... | |
| void | setXBallsVectorScale (double newVScale) |
| Set the scale of vectors in xballs. More... | |
| double | getXBallsVectorScale () const |
| Returns the scale of vectors used in xballs. More... | |
| void | setXBallsAdditionalArguments (std::string newXBArgs) |
| Set the additional arguments for xballs. More... | |
| std::string | getXBallsAdditionalArguments () const |
| Returns the additional arguments for xballs. More... | |
| void | setXBallsScale (Mdouble newScale) |
| Sets the scale of the view (either normal, zoom in or zoom out) to display in xballs. The default is fit to screen. More... | |
| double | getXBallsScale () const |
| Returns the scale of the view in xballs. More... | |
| void | setGravity (Vec3D newGravity) |
| Sets a new value for the gravitational acceleration. More... | |
| Vec3D | getGravity () const |
| Returns the gravitational acceleration. More... | |
| void | setBackgroundDrag (Mdouble backgroundDrag) |
| Simple access function to turn on a background drag. The force of particleVelocity*drag is applied (note, it allowd to be negaitve i.e. create energy) More... | |
| const Mdouble | getBackgroundDrag () const |
| Return the background drag. More... | |
| void | setDimension (unsigned int newDim) |
| Sets both the system dimensions and the particle dimensionality. More... | |
| void | setSystemDimensions (unsigned int newDim) |
| Sets the system dimensionality. More... | |
| unsigned int | getSystemDimensions () const |
| Returns the system dimensionality. More... | |
| void | setParticleDimensions (unsigned int particleDimensions) |
| Sets the particle dimensionality. More... | |
| unsigned int | getParticleDimensions () const |
| Returns the particle dimensionality. More... | |
| std::string | getRestartVersion () const |
| This is to take into account for different Mercury versions. Returns the version of the restart file. More... | |
| void | setRestartVersion (std::string newRV) |
| Sets restart_version. More... | |
| bool | getRestarted () const |
| Returns the flag denoting if the simulation was restarted or not. More... | |
| void | setRestarted (bool newRestartedFlag) |
| Allows to set the flag stating if the simulation is to be restarted or not. More... | |
| bool | getAppend () const |
| Returns whether the "append" option is on or off. More... | |
| void | setAppend (bool newAppendFlag) |
| Sets whether the "append" option is on or off. More... | |
| Mdouble | getElasticEnergy () const |
| Returns the global elastic energy within the system. More... | |
| Mdouble | getKineticEnergy () const |
| Returns the global kinetic energy stored in the system. More... | |
| Mdouble | getGravitationalEnergy () const |
| Returns the global gravitational potential energy stored in the system. More... | |
| Mdouble | getRotationalEnergy () const |
| JMFT Returns the global rotational energy stored in the system. More... | |
| Mdouble | getTotalEnergy () const |
| Mdouble | getTotalMass () const |
| JMFT: Return the total mass of the system, excluding fixed particles. More... | |
| Vec3D | getCentreOfMass () const |
| JMFT: Return the centre of mass of the system, excluding fixed particles. More... | |
| Vec3D | getTotalMomentum () const |
| JMFT: Return the total momentum of the system, excluding fixed particles. More... | |
| double | getCPUTime () |
| double | getWallTime () |
| virtual void | hGridInsertParticle (BaseParticle *obj UNUSED) |
| virtual void | hGridUpdateParticle (BaseParticle *obj UNUSED) |
| virtual void | hGridRemoveParticle (BaseParticle *obj UNUSED) |
| bool | mpiIsInCommunicationZone (BaseParticle *particle) |
| Checks if the position of the particle is in an mpi communication zone or not. More... | |
| bool | mpiInsertParticleCheck (BaseParticle *P) |
| Function that checks if the mpi particle should really be inserted by the current domain. More... | |
| void | insertGhostParticle (BaseParticle *P) |
| This function inserts a particle in the mpi communication boundaries. More... | |
| void | updateGhostGrid (BaseParticle *P) |
| Checks if the Domain/periodic interaction distance needs to be updated and updates it accordingly. More... | |
| virtual void | gatherContactStatistics (unsigned int index1, int index2, Vec3D Contact, Mdouble delta, Mdouble ctheta, Mdouble fdotn, Mdouble fdott, Vec3D P1_P2_normal_, Vec3D P1_P2_tangential) |
| //Not unsigned index because of possible wall collisions. More... | |
| void | setNumberOfDomains (std::vector< unsigned > direction) |
| Sets the number of domains in x-,y- and z-direction. Required for parallel computations. More... | |
| void | splitDomain (DomainSplit domainSplit) |
| std::vector< unsigned > | getNumberOfDomains () |
| returns the number of domains More... | |
| Domain * | getCurrentDomain () |
| Function that returns a pointer to the domain corresponding to the processor. More... | |
| void | removeOldFiles () const |
| void | setMeanVelocity (Vec3D V_mean_goal) |
| This function will help you set a fixed kinetic energy and mean velocity in your system. More... | |
| void | setMeanVelocityAndKineticEnergy (Vec3D V_mean_goal, Mdouble Ek_goal) |
| This function will help you set a fixed kinetic energy and mean velocity in your system. More... | |
| Mdouble | getTotalVolume () const |
| Get the total volume of the cuboid system. More... | |
| Matrix3D | getKineticStress () const |
| Calculate the kinetic stress tensor in the system averaged over the whole volume. More... | |
| Matrix3D | getStaticStress () const |
| Calculate the static stress tensor in the system averaged over the whole volume. More... | |
| Matrix3D | getTotalStress () const |
| Calculate the total stress tensor in the system averaged over the whole volume. More... | |
| virtual void | handleParticleRemoval (unsigned int id) |
| Handles the removal of particles from the particleHandler. More... | |
| virtual void | handleParticleAddition (unsigned int id, BaseParticle *p) |
| void | writePythonFileForVTKVisualisation () const |
| void | setWritePythonFileForVTKVisualisation (bool forceWritePythonFileForVTKVisualisation) |
| bool | getWritePythonFileForVTKVisualisation () const |
| WallVTKWriter & | getWallVTKWriter () |
Protected Member Functions | |
| void | hGridFindContactsWithinTargetCell (int x, int y, int z, unsigned int l) |
| Finds contacts between particles in the target cell. More... | |
| void | hGridFindContactsWithTargetCell (int x, int y, int z, unsigned int l, BaseParticle *obj) |
| Finds contacts between the BaseParticle and the target cell. More... | |
| void | computeWallForces (BaseWall *w) override |
| Compute contacts with a wall. More... | |
| void | hGridFindParticlesWithTargetCell (int x, int y, int z, unsigned int l, BaseParticle *obj, std::vector< BaseParticle * > &list) |
| Finds particles within target cell and stores them in a list. More... | |
| void | hGridGetInteractingParticleList (BaseParticle *obj, std::vector< BaseParticle * > &list) override |
| Obtains all neighbour particles of a given object, obtained from the hgrid. More... | |
| void | computeInternalForces (BaseParticle *obj) override |
| Finds contacts with the BaseParticle; avoids multiple checks. More... | |
| bool | hGridHasContactsInTargetCell (int x, int y, int z, unsigned int l, const BaseParticle *obj) const |
| Tests if the BaseParticle has contacts with other Particles in the target cell. More... | |
| bool | hGridHasParticleContacts (const BaseParticle *obj) override |
| Tests if a BaseParticle has any contacts in the HGrid. More... | |
| void | hGridRemoveParticle (BaseParticle *obj) override |
| Removes a BaseParticle from the HGrid. More... | |
| void | hGridUpdateParticle (BaseParticle *obj) override |
| Updates the cell (not the level) of a BaseParticle. More... | |
| Protected Member Functions inherited from MercuryBase | |
| void | hGridRebuild () |
| This sets up the parameters required for the contact model. More... | |
| void | hGridInsertParticle (BaseParticle *obj) final |
| Inserts a single Particle to current grid. More... | |
| void | hGridUpdateMove (BaseParticle *iP, Mdouble move) final |
| Computes the relative displacement of the given BaseParticle and updates the currentMaxRelativeDisplacement_ accordingly. More... | |
| void | hGridActionsBeforeIntegration () override |
| Resets the currentMaxRelativeDisplacement_ to 0. More... | |
| void | hGridActionsAfterIntegration () override |
| This function has to be called before integrateBeforeForceComputation. More... | |
| HGrid * | getHGrid () |
| Gets the HGrid used by this problem. More... | |
| const HGrid * | getHGrid () const |
| Gets the HGrid used by this problem, const version. More... | |
| bool | readNextArgument (int &i, int argc, char *argv[]) override |
| Reads the next command line argument. More... | |
| Protected Member Functions inherited from DPMBase | |
| virtual void | computeAllForces () |
| Computes all the forces acting on the particles using the BaseInteractable::setForce() and BaseInteractable::setTorque() More... | |
| virtual void | computeInternalForce (BaseParticle *, BaseParticle *) |
| Computes the forces between two particles (internal in the sense that the sum over all these forces is zero i.e. fully modelled forces) More... | |
| virtual void | computeExternalForces (BaseParticle *) |
| Computes the external forces, such as gravity, acting on particles. More... | |
| virtual void | computeForcesDueToWalls (BaseParticle *, BaseWall *) |
| Computes the forces on the particles due to the walls (normals are outward normals) More... | |
| virtual void | actionsOnRestart () |
| A virtual function where the users can add extra code which is executed only when the code is restarted. More... | |
| virtual void | actionsBeforeTimeLoop () |
| A virtual function. Allows one to carry out any operations before the start of the time loop. More... | |
| virtual void | actionsBeforeTimeStep () |
| A virtual function which allows to define operations to be executed before the new time step. More... | |
| virtual void | computeAdditionalForces () |
| A virtual function which allows to define operations to be executed prior to the OMP force collect. More... | |
| virtual void | actionsAfterSolve () |
| A virtual function which allows to define operations to be executed after the solve(). More... | |
| virtual void | actionsAfterTimeStep () |
| A virtual function which allows to define operations to be executed after time step. More... | |
| void | writeVTKFiles () const |
| virtual void | outputXBallsData (std::ostream &os) const |
| This function writes the location of the walls and particles in a format the XBalls program can read. For more information on the XBalls program, see Visualising data in xballs. More... | |
| virtual void | outputXBallsDataParticle (unsigned int i, unsigned int format, std::ostream &os) const |
| This function writes out the particle locations into an output stream in a format the XBalls program can read. For more information on the XBalls program, see Visualising data in xballs. More... | |
| virtual void | writeEneHeader (std::ostream &os) const |
| Writes a header with a certain format for ENE file. More... | |
| virtual void | writeFstatHeader (std::ostream &os) const |
| Writes a header with a certain format for FStat file. More... | |
| virtual void | writeEneTimeStep (std::ostream &os) const |
| Write the global kinetic, potential energy, etc. in the system. More... | |
| virtual void | initialiseStatistics () |
| virtual void | outputStatistics () |
| void | gatherContactStatistics () |
| virtual void | processStatistics (bool) |
| virtual void | finishStatistics () |
| virtual void | integrateBeforeForceComputation () |
| Update particles' and walls' positions and velocities before force computation. More... | |
| virtual void | integrateAfterForceComputation () |
| Update particles' and walls' positions and velocities after force computation. More... | |
| virtual void | checkInteractionWithBoundaries () |
| There are a range of boundaries one could implement depending on ones' problem. This methods checks for interactions between particles and such range of boundaries. See BaseBoundary.h and all the boundaries in the Boundaries folder. More... | |
| void | setFixedParticles (unsigned int n) |
Sets a number, n, of particles in the particleHandler as "fixed particles". More... | |
| virtual void | printTime () const |
| Displays the current simulation time and the maximum simulation duration. More... | |
| virtual bool | continueSolve () const |
| A virtual function for deciding whether to continue the simulation, based on a user-specified criterion. More... | |
| void | outputInteractionDetails () const |
| Displays the interaction details corresponding to the pointer objects in the interaction handler. More... | |
| bool | isTimeEqualTo (Mdouble time) const |
| Checks whether the input variable "time" is the current time in the simulation. More... | |
| void | removeDuplicatePeriodicParticles () |
| Removes periodic duplicate Particles. More... | |
| void | checkAndDuplicatePeriodicParticles () |
| For simulations using periodic boundaries, checks and adds particles when necessary into the particle handler. See DPMBase.cc and PeriodicBoundary.cc for more details. More... | |
| void | performGhostParticleUpdate () |
| When the Verlet scheme updates the positions and velocities of particles, ghost particles will need an update as wel. Their status will also be updated accordingly. More... | |
| void | deleteGhostParticles (std::set< BaseParticle * > &particlesToBeDeleted) |
| void | synchroniseParticle (BaseParticle *, unsigned fromProcessor=0) |
| void | performGhostVelocityUpdate () |
| updates the final time-step velocity of the ghost particles More... | |
| void | setSoftStop () |
| function for setting sigaction constructor. More... | |
Additional Inherited Members | |
| Public Types inherited from DPMBase | |
| enum class | ReadOptions : int { ReadAll , ReadNoInteractions , ReadNoParticlesAndInteractions } |
| enum class | DomainSplit { X , Y , Z , XY , XZ , YZ , XYZ } |
| Static Public Member Functions inherited from DPMBase | |
| static void | incrementRunNumberInFile () |
| Increment the run Number (counter value) stored in the file_counter (COUNTER_DONOTDEL) by 1 and store the new value in the counter file. More... | |
| static int | readRunNumberFromFile () |
| Read the run number or the counter from the counter file (COUNTER_DONOTDEL) More... | |
| static bool | areInContact (const BaseParticle *pI, const BaseParticle *pJ) |
| Checks if two particle are in contact or is there any positive overlap. More... | |
| Public Attributes inherited from DPMBase | |
| SpeciesHandler | speciesHandler |
| A handler to that stores the species type i.e. LinearViscoelasticSpecies, etc. More... | |
| RNG | random |
| This is a random generator, often used for setting up the initial conditions etc... More... | |
| ParticleHandler | particleHandler |
| An object of the class ParticleHandler, contains the pointers to all the particles created. More... | |
| ParticleHandler | paoloParticleHandler |
| Fake particleHandler created by Paolo needed temporary by just Paolo. More... | |
| WallHandler | wallHandler |
| An object of the class WallHandler. Contains pointers to all the walls created. More... | |
| BoundaryHandler | boundaryHandler |
| An object of the class BoundaryHandler which concerns insertion and deletion of particles into or from regions. More... | |
| PeriodicBoundaryHandler | periodicBoundaryHandler |
| Internal handler that deals with periodic boundaries, especially in a parallel build. More... | |
| DomainHandler | domainHandler |
| An object of the class DomainHandler which deals with parallel code. More... | |
| InteractionHandler | interactionHandler |
| An object of the class InteractionHandler. More... | |
| CGHandler | cgHandler |
| Object of the class cgHandler. More... | |
| File | dataFile |
| An instance of class File to handle in- and output into a .data file. More... | |
| File | fStatFile |
| An instance of class File to handle in- and output into a .fstat file. More... | |
| File | eneFile |
| An instance of class File to handle in- and output into a .ene file. More... | |
| File | restartFile |
| An instance of class File to handle in- and output into a .restart file. More... | |
| File | statFile |
| An instance of class File to handle in- and output into a .stat file. More... | |
| File | interactionFile |
| File class to handle in- and output into .interactions file. This file hold information about interactions. More... | |
| Time | clock_ |
| record when the simulation started More... | |
| Static Protected Member Functions inherited from DPMBase | |
| static void | signalHandler (int signal) |
| signal handler function. More... | |
This adds on the hierarchical grid code for 3D problems.
| Mercury3D::Mercury3D | ( | ) |
This is the default constructor. All it does is set sensible defaults.
References constructor(), DEBUG, and logger.
|
explicit |
Copy-constructor for creates an Mercury3D problem from an existing MD problem.
| [in] | other | DPMBase which has to be copied and converted to a Mercury3D. |
Constructor that makes a Mercury3D out of a DPMBase. The "copy"-constructor of DPMBase has to be called because the link from DPMBase to MercuryBase is virtual.
References constructor(), DEBUG, and logger.
| Mercury3D::Mercury3D | ( | const Mercury3D & | other | ) |
Copy-constructor.
| [in] | other | Mercury3D that must be copied. |
Copy constructor, note that the copy-constructor of DPMBase has to be called because the link from DPMBase to MercuryBase is virtual.
|
overrideprotectedvirtual |
Finds contacts with the BaseParticle; avoids multiple checks.
| [in] | obj | A pointer to the BaseParticle for which we want to check for contacts. |
Computes all collision between given BaseParticle and all other particles in the grid. Please note that we're looking only one way, so that interactions are not detected twice.
Reimplemented from DPMBase.
References MercuryBase::getHGrid(), BaseParticle::getHGridLevel(), MercuryBase::getHGridMethod(), BaseParticle::getHGridX(), BaseParticle::getHGridY(), BaseParticle::getHGridZ(), HGrid::getInvCellSize(), BaseParticle::getMaxInteractionRadius(), HGrid::getNumberOfLevels(), HGrid::getOccupiedLevelsMask(), BaseInteractable::getPosition(), hGridFindContactsWithinTargetCell(), hGridFindContactsWithTargetCell(), TOPDOWN, Vec3D::X, Vec3D::Y, and Vec3D::Z.
Referenced by Mercury3Dclump::computeAllForces().
|
overrideprotectedvirtual |
Compute contacts with a wall.
Reimplemented from DPMBase.
References DPMBase::computeForcesDueToWalls(), HGrid::computeHashBucketIndex(), DPMBase::computeWallForces(), HGridCell::equals(), HGrid::getFirstBaseParticleInBucket(), MercuryBase::getHGrid(), BaseParticle::getHGridCell(), BaseParticle::getHGridNextObject(), HGrid::getInvCellSize(), HGrid::getNumberOfLevels(), HGrid::getOccupiedLevelsMask(), BaseParticle::getPeriodicFromParticle(), MercuryBase::hGridRebuild(), INFO, BaseParticle::isFixed(), BaseWall::isLocal(), logger, VERBOSE, Vec3D::X, Vec3D::Y, and Vec3D::Z.
Referenced by Mercury3Dclump::computeAllForces().
| void Mercury3D::constructor | ( | ) |
Function that sets the SystemDimension and ParticleDimension to 3.
References DPMBase::setParticleDimensions(), and DPMBase::setSystemDimensions().
Referenced by Mercury3D().
|
protected |
Finds contacts between particles in the target cell.
| [in] | x | Coordinate of the target cell in x direction. |
| [in] | y | Coordinate of the target cell in y direction. |
| [in] | z | Coordinate of the target cell in z direction. |
| [in] | l | Level in the HGrid of the target cell. |
Computes all collision between particles in the same bucket as cell (x,y,z,l), please note that all the particles are in the same cell.
References HGrid::computeHashBucketIndex(), DPMBase::computeInternalForce(), HGrid::getBucketIsChecked(), HGrid::getFirstBaseParticleInBucket(), MercuryBase::getHGrid(), BaseParticle::getHGridCell(), BaseParticle::getHGridNextObject(), and HGrid::setBucketIsChecked().
Referenced by computeInternalForces().
|
protected |
Finds contacts between the BaseParticle and the target cell.
| [in] | x | The coordinate of the target cell in x direction. |
| [in] | y | The coordinate of the target cell in y direction. |
| [in] | z | The coordinate of the target cell in z direction. |
| [in] | l | The level in the HGrid of the target cell. |
| [in] | obj | A pointer to the BaseParticle for which we want to have interactions. |
Computes all collisions between given BaseParticle and particles in cell (x,y,z,l). This is done by first checking if the BaseParticle is indeed from another cell, then for all BaseParticle in the target cell it is checked what the forces between that BaseParticle and given BaseParticle are.
References HGrid::computeHashBucketIndex(), DPMBase::computeInternalForce(), HGridCell::equals(), Vec3D::getDistanceSquared(), HGrid::getFirstBaseParticleInBucket(), MercuryBase::getHGrid(), BaseParticle::getHGridCell(), BaseParticle::getHGridNextObject(), BaseParticle::getMaxInteractionRadius(), BaseInteractable::getPosition(), logger, and mathsFunc::square().
Referenced by computeInternalForces().
|
overridevirtual |
Returns all particles that have a contact with a given particle.
Implements MercuryBase.
References DPMBase::areInContact(), HGrid::computeHashBucketIndex(), HGridCell::equals(), HGrid::getFirstBaseParticleInBucket(), MercuryBase::getHGrid(), BaseParticle::getHGridCell(), BaseParticle::getHGridNextObject(), HGrid::getInvCellSize(), BaseParticle::getMaxInteractionRadius(), HGrid::getNumberOfLevels(), HGrid::getOccupiedLevelsMask(), BaseInteractable::getPosition(), MercuryBase::hGridRebuild(), INFO, logger, VERBOSE, Vec3D::X, Vec3D::Y, and Vec3D::Z.
|
protected |
Finds particles within target cell and stores them in a list.
References HGrid::computeHashBucketIndex(), HGridCell::equals(), HGrid::getFirstBaseParticleInBucket(), MercuryBase::getHGrid(), BaseParticle::getHGridCell(), and BaseParticle::getHGridNextObject().
Referenced by hGridGetInteractingParticleList().
|
overrideprotectedvirtual |
Obtains all neighbour particles of a given object, obtained from the hgrid.
Reimplemented from DPMBase.
References DEBUG, MercuryBase::getHGrid(), BaseParticle::getHGridLevel(), HGrid::getInvCellSize(), BaseParticle::getMaxInteractionRadius(), HGrid::getNumberOfLevels(), HGrid::getOccupiedLevelsMask(), BaseInteractable::getPosition(), hGridFindParticlesWithTargetCell(), MercuryBase::hGridNeedsRebuilding(), MercuryBase::hGridRebuild(), logger, Vec3D::X, Vec3D::Y, and Vec3D::Z.
|
protected |
Tests if the BaseParticle has contacts with other Particles in the target cell.
| [in] | x | The coordinate of the target cell in x direction. |
| [in] | y | The coordinate of the target cell in y direction. |
| [in] | z | The coordinate of the target cell in z direction. |
| [in] | l | The level of the HGrid of the target cell. |
| [in] | obj | A pointer to the BaseParticle which is checked for contacts. |
Tests if there are any collisions between given BaseParticle and particles in cell (x, y, z, l).
References DPMBase::areInContact(), HGrid::computeHashBucketIndex(), HGridCell::equals(), HGrid::getFirstBaseParticleInBucket(), MercuryBase::getHGrid(), BaseParticle::getHGridCell(), and BaseParticle::getHGridNextObject().
Referenced by hGridHasParticleContacts().
|
overrideprotectedvirtual |
Tests if a BaseParticle has any contacts in the HGrid.
| [in] | obj | A pointer to the BaseParticle that is tested for contacts. |
Tests if there are any collisions between the given BaseParticle and all other particles in the HGrid. Do this by going through all levels, find if there is a collision in any of the levels in any cell of the HGrid.
Implements MercuryBase.
References MercuryBase::getHGrid(), HGrid::getInvCellSize(), BaseParticle::getMaxInteractionRadius(), HGrid::getNumberOfLevels(), HGrid::getOccupiedLevelsMask(), BaseInteractable::getPosition(), hGridHasContactsInTargetCell(), MercuryBase::hGridRebuild(), INFO, logger, VERBOSE, Vec3D::X, Vec3D::Y, and Vec3D::Z.
|
overrideprotected |
Removes a BaseParticle from the HGrid.
| [in] | obj | A pointer to the BaseParticle that needs to be removed. |
Removes the given BaseParticle from the HGrid.
References HGrid::computeHashBucketIndex(), HGrid::getFirstBaseParticleInBucket(), MercuryBase::getHGrid(), BaseParticle::getHGridCell(), BaseParticle::getHGridNextObject(), BaseParticle::getHGridPrevObject(), HGrid::setFirstBaseParticleInBucket(), BaseParticle::setHGridNextObject(), and BaseParticle::setHGridPrevObject().
Referenced by hGridUpdateParticle(), and ChuteWithPeriodicInflow::integrateBeforeForceComputation().
|
overrideprotected |
Updates the cell (not the level) of a BaseParticle.
| [in] | obj | A pointer to the BaseParticle that must be updated. |
Updates the HGrid positions (x, y and z) of the given BaseParticle.
References HGrid::computeHashBucketIndex(), HGrid::getFirstBaseParticleInBucket(), MercuryBase::getHGrid(), BaseParticle::getHGridLevel(), BaseParticle::getHGridX(), BaseParticle::getHGridY(), BaseParticle::getHGridZ(), HGrid::getInvCellSize(), BaseInteractable::getPosition(), hGridRemoveParticle(), HGrid::setFirstBaseParticleInBucket(), BaseParticle::setHGridNextObject(), BaseParticle::setHGridPrevObject(), BaseParticle::setHGridX(), BaseParticle::setHGridY(), BaseParticle::setHGridZ(), Vec3D::X, Vec3D::Y, and Vec3D::Z.
Referenced by ChuteWithPeriodicInflow::integrateBeforeForceComputation().
1.9.1 