eOn 3.2.0
Long-timescale dynamics: aKMC, NEB, parallel replica
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PrefactorJob.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 "
Parameters.h
"
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#include <string_view>
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namespace
eonc
{
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class
PrefactorJob
:
public
Job
{
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public
:
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PrefactorJob
(std::unique_ptr<Parameters> parameters,
Runtime
&rt)
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:
Job
(std::move(parameters), rt) {}
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~PrefactorJob
() =
default
;
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std::vector<std::string>
run
()
override
;
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static
constexpr
std::string_view
PREFACTOR_REACTANT
{
"reactant"
};
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static
constexpr
std::string_view
PREFACTOR_SADDLE
{
"saddle"
};
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static
constexpr
std::string_view
PREFACTOR_PRODUCT
{
"product"
};
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};
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}
// namespace eonc
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...
Parameters.h
eonc::Job::Job
Job(std::unique_ptr< Parameters > parameters, Runtime &rt)
Borrow: caller keeps Runtime alive (CLI stack / Python Session).
Definition
Job.h:76
eonc::PrefactorJob::run
std::vector< std::string > run() override
Virtual run; used solely for dynamic dispatch.
Definition
PrefactorJob.cpp:32
eonc::PrefactorJob::PrefactorJob
PrefactorJob(std::unique_ptr< Parameters > parameters, Runtime &rt)
Definition
PrefactorJob.h:23
eonc::PrefactorJob::PREFACTOR_PRODUCT
static constexpr std::string_view PREFACTOR_PRODUCT
Definition
PrefactorJob.h:29
eonc::PrefactorJob::~PrefactorJob
~PrefactorJob()=default
eonc::PrefactorJob::PREFACTOR_SADDLE
static constexpr std::string_view PREFACTOR_SADDLE
Definition
PrefactorJob.h:28
eonc::PrefactorJob::PREFACTOR_REACTANT
static constexpr std::string_view PREFACTOR_REACTANT
Definition
PrefactorJob.h:27
eonc::Runtime
Move-only composition root for process resources (dlopen loaders and the potential registry).
Definition
Runtime.h:27
eonc
RAII resource manager for the ARTn C library with global synchronization.
Definition
ARTnSaddleSearch.cpp:23
include
eon
PrefactorJob.h
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