NAMD
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#include <ComputeConsForce.h>
Public Member Functions | |
ComputeConsTorque (ComputeID, PatchID) | |
virtual | ~ComputeConsTorque () |
virtual void | doForce (FullAtom *, Results *) |
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ComputeHomePatch (ComputeID c, PatchID pid) | |
virtual | ~ComputeHomePatch () |
virtual void | initialize () |
virtual void | atomUpdate () |
virtual void | doWork () |
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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) |
Additional Inherited Members | |
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const ComputeID | cid |
LDObjHandle | ldObjHandle |
LocalWorkMsg *const | localWorkMsg |
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void | enqueueWork () |
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int | numAtoms |
Patch * | patch |
HomePatch * | homePatch |
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int | computeType |
int | basePriority |
int | gbisPhase |
int | gbisPhasePriority [3] |
Definition at line 17 of file ComputeConsForce.h.
Definition at line 51 of file ComputeConsForce.C.
References ReductionMgr::Object(), REDUCTIONS_BASIC, and ReductionMgr::willSubmit().
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virtual |
Definition at line 57 of file ComputeConsForce.C.
Implements ComputeHomePatch.
Definition at line 62 of file ComputeConsForce.C.
References ADD_TENSOR_OBJECT, ADD_VECTOR_OBJECT, SimParameters::consTorqueGlobVal, Molecule::consTorqueIndexes, cross(), Results::f, forces, Molecule::get_constorque_params(), ComputeHomePatch::homePatch, Patch::lattice, Vector::length(), Node::molecule, Results::normal, ComputeHomePatch::numAtoms, Node::Object(), outer(), CompAtom::position, Lattice::reverse_transform(), Node::simParameters, simParams, and SubmitReduction::submit().