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ddMd
communicate
AtomCollector.h
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#ifndef DDMD_ATOM_COLLECTOR_H
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#define DDMD_ATOM_COLLECTOR_H
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/*
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* Simpatico - Simulation Package for Polymeric and Molecular Liquids
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*
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* Copyright 2010 - 2017, The Regents of the University of Minnesota
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* Distributed under the terms of the GNU General Public License.
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*/
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#include <util/param/ParamComposite.h>
// base class
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#include <ddMd/chemistry/AtomArray.h>
// member
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#include <ddMd/storage/AtomIterator.h>
// member
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namespace
DdMd
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{
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class
AtomStorage;
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class
Domain;
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class
Buffer;
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using namespace
Util
;
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class
AtomCollector
:
public
ParamComposite
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{
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public
:
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AtomCollector
();
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~
AtomCollector
();
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void
associate(
Domain
& domain,
AtomStorage
& storage,
Buffer
& buffer);
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void
setCapacity(
int
recvArrayCapacity);
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void
setup();
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Atom
* nextPtr();
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void
send
();
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private
:
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AtomArray
recvArray_;
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AtomIterator
iterator_;
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Domain
* domainPtr_;
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AtomStorage
* storagePtr_;
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Buffer
* bufferPtr_;
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int
source_;
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int
recvBufferSize_;
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int
recvArrayCapacity_;
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int
recvArraySize_;
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int
recvArrayId_;
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bool
isComplete_;
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};
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}
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#endif
DdMd::Atom
A point particle in an MD simulation.
Definition:
ddMd/chemistry/Atom.h:64
DdMd
Parallel domain decomposition (DD) MD simulation.
Definition:
ddMd/analyzers/Analyzer.cpp:12
Util::send
void send(MPI::Comm &comm, T &data, int dest, int tag)
Send a single T value.
Definition:
MpiSendRecv.h:97
DdMd::AtomCollector
Class for collecting Atoms from processors to master processor.
Definition:
AtomCollector.h:57
DdMd::AtomArray
An array of Atom objects.
Definition:
AtomArray.h:40
Util
Utility classes for scientific computation.
Definition:
accumulators.mod:1
DdMd::AtomStorage
A container for all the atoms and ghost atoms on this processor.
Definition:
ddMd/storage/AtomStorage.h:44
DdMd::Buffer
Buffer for interprocessor communication.
Definition:
Buffer.h:217
DdMd::Domain
Decomposition of the system into domains associated with processors.
Definition:
Domain.h:31
Util::ParamComposite
An object that can read multiple parameters from file.
Definition:
ParamComposite.h:89
DdMd::AtomIterator
Iterator for all atoms owned by an AtomStorage.
Definition:
AtomIterator.h:24
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