NAMD
ComputeHomePatch.h
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/*
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Compute object which deals with a single patch.
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*/
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#ifndef COMPUTEHOMEPATCH_H
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#define COMPUTEHOMEPATCH_H
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#include "
Compute.h
"
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#include "
PatchTypes.h
"
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#include "
Box.h
"
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#include "
OwnerBox.h
"
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class
Patch
;
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class
HomePatch
;
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class
Node
;
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class
PatchMap
;
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class
ComputeHomePatch
:
public
Compute
{
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public
:
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ComputeHomePatch
(
ComputeID
c,
PatchID
pid);
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virtual
~ComputeHomePatch
();
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virtual
void
initialize
();
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virtual
void
atomUpdate
();
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virtual
void
doWork
();
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protected :
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int
numAtoms
;
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virtual
void
doForce
(
FullAtom
* p,
Results
* r) = 0;
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Patch
*
patch
;
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HomePatch
*
homePatch
;
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private
:
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PatchID
patchID;
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Box<Patch,CompAtom>
*positionBox;
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Box<Patch,Results>
*forceBox;
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};
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#endif
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ComputeHomePatch::numAtoms
int numAtoms
Definition:
ComputeHomePatch.h:36
Results
Definition:
PatchTypes.h:137
ComputeHomePatch::~ComputeHomePatch
virtual ~ComputeHomePatch()
Definition:
ComputeHomePatch.C:32
OwnerBox.h
Compute
Definition:
Compute.h:28
Node
Definition:
Node.h:78
ComputeID
int32 ComputeID
Definition:
NamdTypes.h:278
ComputeHomePatch::initialize
virtual void initialize()
Definition:
ComputeHomePatch.C:45
Patch
Definition:
Patch.h:35
HomePatch
Definition:
HomePatch.h:329
ComputeHomePatch::doWork
virtual void doWork()
Definition:
ComputeHomePatch.C:76
ComputeHomePatch
Definition:
ComputeHomePatch.h:25
ComputeHomePatch::doForce
virtual void doForce(FullAtom *p, Results *r)=0
FullAtom
Definition:
NamdTypes.h:200
ComputeHomePatch::atomUpdate
virtual void atomUpdate()
Definition:
ComputeHomePatch.C:70
Box< Patch, CompAtom >
Compute.h
ComputeHomePatch::patch
Patch * patch
Definition:
ComputeHomePatch.h:38
PatchMap
Definition:
PatchMap.h:23
Box.h
PatchID
int32 PatchID
Definition:
NamdTypes.h:277
PatchTypes.h
ComputeHomePatch::homePatch
HomePatch * homePatch
Definition:
ComputeHomePatch.h:39
ComputeHomePatch::ComputeHomePatch
ComputeHomePatch(ComputeID c, PatchID pid)
Definition:
ComputeHomePatch.C:23
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