NAMD
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#include <ComputeHomeTuples.h>
Public Member Functions | |
int | hash () const |
TuplePatchElem (PatchID pid=-1) | |
TuplePatchElem (Patch *p_param, Compute *cid) | |
~TuplePatchElem () | |
int | operator== (const TuplePatchElem &elem) const |
int | operator< (const TuplePatchElem &elem) const |
Public Attributes | |
PatchID | patchID |
Patch * | p |
Box< Patch, CompAtom > * | positionBox |
Box< Patch, CompAtom > * | avgPositionBox |
Box< Patch, Results > * | forceBox |
CompAtom * | x |
CompAtomExt * | xExt |
CompAtom * | x_avg |
Results * | r |
Force * | f |
Force * | af |
Copyright (c) 1995, 1996, 1997, 1998, 1999, 2000 by The Board of Trustees of the University of Illinois. All rights reserved.
Definition at line 38 of file ComputeHomeTuples.h.
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Definition at line 54 of file ComputeHomeTuples.h.
References af, avgPositionBox, f, forceBox, p, patchID, positionBox, r, x, x_avg, and xExt.
Definition at line 68 of file ComputeHomeTuples.h.
References af, avgPositionBox, f, forceBox, Patch::getPatchID(), p, patchID, positionBox, r, Patch::registerAvgPositionPickup(), Patch::registerForceDeposit(), Patch::registerPositionPickup(), x, x_avg, and xExt.
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Definition at line 82 of file ComputeHomeTuples.h.
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Force* TuplePatchElem::af |
Definition at line 50 of file ComputeHomeTuples.h.
Referenced by CrosstermElem::computeForce(), DihedralElem::computeForce(), and TuplePatchElem().
Definition at line 43 of file ComputeHomeTuples.h.
Referenced by TuplePatchElem().
Force* TuplePatchElem::f |
Definition at line 49 of file ComputeHomeTuples.h.
Referenced by AngleElem::computeForce(), CrosstermElem::computeForce(), ImproperElem::computeForce(), DihedralElem::computeForce(), TholeElem::computeForce(), AnisoElem::computeForce(), BondElem::computeForce(), GromacsPairElem::computeForce(), and TuplePatchElem().
Definition at line 44 of file ComputeHomeTuples.h.
Referenced by TuplePatchElem().
Patch* TuplePatchElem::p |
Definition at line 41 of file ComputeHomeTuples.h.
Referenced by AngleElem::computeForce(), CrosstermElem::computeForce(), ImproperElem::computeForce(), DihedralElem::computeForce(), AnisoElem::computeForce(), TholeElem::computeForce(), BondElem::computeForce(), ExclElem::computeForce(), GromacsPairElem::computeForce(), ComputeHomeTuples< TholeElem, Thole, TholeValue >::loadTuples(), and TuplePatchElem().
PatchID TuplePatchElem::patchID |
Definition at line 40 of file ComputeHomeTuples.h.
Referenced by hash(), operator<(), operator==(), and TuplePatchElem().
Definition at line 42 of file ComputeHomeTuples.h.
Referenced by TuplePatchElem().
Results* TuplePatchElem::r |
Definition at line 48 of file ComputeHomeTuples.h.
Referenced by ExclElem::computeForce(), and TuplePatchElem().
CompAtom* TuplePatchElem::x |
Definition at line 45 of file ComputeHomeTuples.h.
Referenced by AngleElem::computeForce(), CrosstermElem::computeForce(), ImproperElem::computeForce(), DihedralElem::computeForce(), AnisoElem::computeForce(), TholeElem::computeForce(), BondElem::computeForce(), ExclElem::computeForce(), GromacsPairElem::computeForce(), and TuplePatchElem().
CompAtom* TuplePatchElem::x_avg |
Definition at line 47 of file ComputeHomeTuples.h.
Referenced by TuplePatchElem().
CompAtomExt* TuplePatchElem::xExt |
Definition at line 46 of file ComputeHomeTuples.h.
Referenced by TuplePatchElem().