NAMD
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#include <ComputeBonds.h>
Public Member Functions | |
ComputeSelfBonds (ComputeID c, PatchID p) | |
Public Member Functions inherited from ComputeSelfTuples< BondElem, Bond, BondValue > | |
ComputeSelfTuples (ComputeID c, PatchID p) | |
virtual | ~ComputeSelfTuples () |
virtual void | initialize (void) |
void | doWork (void) |
Public Member Functions inherited from ComputeHomeTuples< T, S, P > | |
virtual | ~ComputeHomeTuples () |
void | atomUpdate (void) |
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) |
Additional Inherited Members | |
Public Attributes inherited from Compute | |
const ComputeID | cid |
LDObjHandle | ldObjHandle |
LocalWorkMsg *const | localWorkMsg |
Protected Member Functions inherited from ComputeHomeTuples< T, S, P > | |
ComputeHomeTuples (ComputeID c) | |
ComputeHomeTuples (ComputeID c, PatchIDList &pids) | |
Protected Member Functions inherited from Compute | |
void | enqueueWork () |
Protected Attributes inherited from ComputeHomeTuples< T, S, P > | |
int | doLoadTuples |
ResizeArray< T > | tupleList |
TuplePatchList | tuplePatchList |
PatchMap * | patchMap |
AtomMap * | atomMap |
SubmitReduction * | reduction |
int | accelMDdoDihe |
SubmitReduction * | pressureProfileReduction |
BigReal * | pressureProfileData |
int | pressureProfileSlabs |
char * | isBasePatch |
Protected Attributes inherited from Compute | |
int | computeType |
int | basePriority |
int | gbisPhase |
int | gbisPhasePriority [3] |
Definition at line 71 of file ComputeBonds.h.
Definition at line 75 of file ComputeBonds.h.