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Long-timescale dynamics: aKMC, NEB, parallel replica
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DynamicsJob.h
Go to the documentation of this file.
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/*
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** This file is part of eOn.
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**
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** SPDX-License-Identifier: BSD-3-Clause
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**
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** Copyright (c) 2010--present, eOn Development Team
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** All rights reserved.
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**
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** Repo:
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** https://github.com/TheochemUI/eOn
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*/
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#pragma once
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#include "
Job.h
"
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#include "
Matter.h
"
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#include "
Parameters.h
"
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namespace
eonc
{
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class
DynamicsJob
:
public
Job
{
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public
:
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DynamicsJob
(std::unique_ptr<Parameters> parameters)
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:
Job
(std::move(parameters)) {}
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~DynamicsJob
(
void
) =
default
;
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std::vector<std::string>
run
(
void
);
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std::vector<std::string>
returnFiles
;
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};
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}
// namespace eonc
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using
eonc::DynamicsJob
;
Job.h
The job class is used to serve as an abstract class for all jobs, as well as to call a job at runtime...
Matter.h
Parameters.h
DynamicsJob::DynamicsJob
DynamicsJob(std::unique_ptr< Parameters > parameters)
Definition
DynamicsJob.h:22
eonc::DynamicsJob
Definition
DynamicsJob.h:19
eonc::DynamicsJob::returnFiles
std::vector< std::string > returnFiles
Definition
DynamicsJob.h:26
eonc::DynamicsJob::~DynamicsJob
~DynamicsJob(void)=default
eonc::DynamicsJob::run
std::vector< std::string > run(void)
Virtual run; used solely for dynamic dispatch.
Definition
DynamicsJob.cpp:22
eonc::DynamicsJob::DynamicsJob
DynamicsJob(std::unique_ptr< Parameters > parameters)
Definition
DynamicsJob.h:22
eonc::Job::Job
Job(std::unique_ptr< Parameters > parameters)
Definition
Job.h:58
eonc
RAII resource manager for the ARTn C library with global synchronization.
Definition
ARTnSaddleSearch.cpp:19
include
eon
DynamicsJob.h
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