#include <ComputeStir.h>

Inheritance diagram for ComputeStir:

Public Member Functions
	ComputeStir (ComputeID c, PatchID pid)

virtual	~ComputeStir ()

virtual void	doForce (FullAtom p, Results r)

Public Member Functions inherited from ComputeHomePatch
	ComputeHomePatch (ComputeID c, PatchID pid)

virtual	~ComputeHomePatch ()

virtual void	initialize ()

virtual void	atomUpdate ()

virtual void	doWork ()

Public Member Functions inherited from Compute
	Compute (ComputeID)

int	type ()

virtual	~Compute ()

void	setNumPatches (int n)

int	getNumPatches ()

virtual void	patchReady (PatchID, int doneMigration, int seq)

virtual int	noWork ()

virtual void	finishPatch (int)

int	sequence (void)

int	priority (void)

int	getGBISPhase (void)

virtual void	gbisP2PatchReady (PatchID, int seq)

virtual void	gbisP3PatchReady (PatchID, int seq)

Public Attributes
SubmitReduction *	reduction

Public Attributes inherited from Compute
const ComputeID	cid

LDObjHandle	ldObjHandle

LocalWorkMsg *const	localWorkMsg

Additional Inherited Members
Protected Member Functions inherited from Compute
void	enqueueWork ()

Protected Attributes inherited from ComputeHomePatch
int	numAtoms

Patch *	patch

HomePatch *	homePatch

Protected Attributes inherited from Compute
int	computeType

int	basePriority

int	gbisPhase

int	gbisPhasePriority [3]

Detailed Description

Definition at line 18 of file ComputeStir.h.

Constructor & Destructor Documentation

◆ ComputeStir()

ComputeStir::ComputeStir	(	ComputeID	c,
		PatchID	pid
	)

Definition at line 19 of file ComputeStir.C.

References Node::Object(), ReductionMgr::Object(), reduction, REDUCTIONS_BASIC, Node::simParameters, simParams, and ReductionMgr::willSubmit().

   : ComputeHomePatch(c,pid)
 {
 
   SimParameters* simParams = Node::Object()->simParameters;
   axisUnit = simParams->stirAxis.unit();
   pivot = simParams->stirPivot;
   
   reduction = ReductionMgr::Object()->willSubmit(REDUCTIONS_BASIC);
   
   //nitVars(p, axisDir);
   initVars();
 }

◆ ~ComputeStir()

ComputeStir::~ComputeStir ( )

virtual

Definition at line 39 of file ComputeStir.C.

References reduction.

 {
 delete reduction;
 }

Member Function Documentation

◆ doForce()

void ComputeStir::doForce	(	FullAtom *	p,
		Results *	r
	)

virtual

Implements ComputeHomePatch.

Definition at line 288 of file ComputeStir.C.

References ADD_TENSOR_OBJECT, ADD_VECTOR_OBJECT, Vector::dot(), Results::f, Patch::flags, Molecule::get_stir_startTheta(), ComputeHomePatch::homePatch, CompAtomExt::id, Molecule::is_atom_stirred(), SubmitReduction::item(), Patch::lattice, Vector::length(), Node::molecule, Results::normal, ComputeHomePatch::numAtoms, CollectionMgr::Object(), Node::Object(), outer(), ComputeHomePatch::patch, reduction, REDUCTION_MISC_ENERGY, Lattice::reverse_transform(), CollectionMgr::sendDataStream(), Node::simParameters, simParams, Flags::step, SubmitReduction::submit(), Vector::x, Vector::y, and Vector::z.

                                                   {
   
   
   Molecule *molecule = Node::Object()->molecule;
   SimParameters *simParams = Node::Object()->simParameters;
   Lattice &lattice = homePatch->lattice;
   char statbuf[1024];
   Vector curPos; //current atom position
   Vector proj;  //projection on the axis ray
   Vector forceDir;  //direction to apply force in for torque
   Vector theForce; // the force to apply
   Vector targPos; //target Position
   BigReal rayDist, height,targTheta,forceMag;
   //intermediate calc. results for readability
 
   //convert from degrees/timestep to radians/timestep
   int currentStep = patch->flags.step;
 
   //Vector  = simParams->eField;
 
   int GlobalId;
   Force *forces = r->f[Results::normal];
   BigReal energy = 0;
   Force extForce = 0.;
   Tensor extVirial;
   
   //CkPrintf("DEBUG: In ComputeStir::doForce");
   //  Loop through and check each atom
   //CkPrintf ("DEBUG: now to loop atoms, numAtoms = %d\n",numAtoms);    
     for (int i=0; i<numAtoms; i++) {
       if (molecule->is_atom_stirred(p[i].id))
       {
         //CkPrintf ("DEBUG: now to get stir params");   
 
 
         molecule->get_stir_startTheta (p[i].id);
         
         curPos = lattice.reverse_transform(p[i].position,p[i].transform);
 
         rayDist = distanceToRay(axisUnit,pivot,curPos);
         proj = projectionOnRay (axisUnit,pivot,curPos);
         height = findHeight (proj);
         targTheta = (omega * currentStep) + \
                      startingTheta + \
                       molecule->get_stir_startTheta (p[i].id);
 
         targPos = placeThetaRadius (targTheta,height,rayDist);
 
         //project the actual displacement ontoh a unit vector along ( (axis) cross (moment arm) ),
         //so we are applying only  a torque
       
         forceDir = (cross(axisUnit, (curPos - proj))).unit();
         forceMag = forceDir.dot(targPos - curPos); 
         
                        //unitDisp = disp.unit();
         
         theForce = (simParams->stirK) * forceMag * forceDir;
         
         forces[i]  += theForce;
         extForce += theForce;
         extVirial += outer(theForce,curPos);
 
                              
           //CkPrintf ("DEBUG: now to get sprintf x y z's");
           sprintf (statbuf, "DEBUG: step= %d atom i= %d globID= %d T= %g %g %g C= %g %g %g F= %g %g %g startTheta= %g targTheta= %g forceMag= %g F.len= %g FC.len= %g\n",currentStep,i,p[i].id, targPos.x, targPos.y, targPos.z, curPos.x, curPos.y, curPos.z,theForce.x, theForce.y, theForce.z, molecule->get_stir_startTheta (p[i].id),  targTheta,  forceMag, theForce.length(), forces[i].length());
 
         
           CollectionMgr::Object()->sendDataStream(statbuf);     
           
 
       }
 
       //CkPrintf ("DEBUG: got past check for stirred\n");       
       //GlobalId = p[i].id;
       //sprintf (statbuf, "DEBUG: i= %d Global= %d\n",i,GlobalId);
       //dout << "DEBUG: i= " << i << " Global=" << GlobalId <<"\n"<<endd;
       //CollectionMgr::Object()->sendDataStream(statbuf);
     
     }
 
   reduction->item(REDUCTION_MISC_ENERGY) += energy;
   ADD_VECTOR_OBJECT(reduction,REDUCTION_EXT_FORCE_NORMAL,extForce);
   ADD_TENSOR_OBJECT(reduction,REDUCTION_VIRIAL_NORMAL,extVirial);
   reduction->submit();
 
 }

Member Data Documentation

◆ reduction

SubmitReduction* ComputeStir::reduction

Definition at line 27 of file ComputeStir.h.

Referenced by ComputeStir(), doForce(), and ~ComputeStir().

The documentation for this class was generated from the following files:

Public Member Functions

Public Attributes

Additional Inherited Members