QMCPACK
DMCFactoryNew.h
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//////////////////////////////////////////////////////////////////////////////////////
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// This file is distributed under the University of Illinois/NCSA Open Source License.
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// See LICENSE file in top directory for details.
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//
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// Copyright (c) 2019 QMCPACK developers.
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//
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// File developed by: Peter Doak, doakpw@ornl.gov, Oak Ridge National Lab
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//
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// Refactored from: DMCFactor.h
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//////////////////////////////////////////////////////////////////////////////////////
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#ifndef QMCPLUSPLUS_DMCFACTORYNEW_H
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#define QMCPLUSPLUS_DMCFACTORYNEW_H
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#include "
QMCDrivers/QMCDriverInterface.h
"
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#include "
QMCWaveFunctions/WaveFunctionPool.h
"
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#include "
Message/Communicate.h
"
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namespace
qmcplusplus
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{
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class
ParticleSetPool;
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class
HamiltonianPool;
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class
MCPopulation;
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class
ProjectData;
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class
DMCFactoryNew
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{
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private
:
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const
int
dmc_mode_
;
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xmlNodePtr
input_node_
;
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public
:
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DMCFactoryNew
(xmlNodePtr cur,
const
int
dmc_mode) :
dmc_mode_
(dmc_mode),
input_node_
(cur) {}
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/** create a DMCBatched driver.
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* \param[in] project_data containing so basic options including DriverVersion and max_cpu_seconds
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* \param[in] global_emi optional global estimator manager input passed by value to insure copy,
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* a global input should not be consumed by driver.
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*/
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std::unique_ptr<QMCDriverInterface>
create
(
const
ProjectData
& project_data,
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const
std::optional<EstimatorManagerInput> global_emi,
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WalkerConfigurations
& wc,
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MCPopulation
&& pop,
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Communicate
*
comm
);
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};
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}
// namespace qmcplusplus
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#endif
qmcplusplus
helper functions for EinsplineSetBuilder
Definition:
Configuration.h:43
qmcplusplus::DMCFactoryNew::input_node_
xmlNodePtr input_node_
Definition:
DMCFactoryNew.h:30
qmcplusplus::ProjectData
class ProjectData
Definition:
ProjectData.h:36
qmcplusplus::WalkerConfigurations
A set of light weight walkers that are carried between driver sections and restart.
Definition:
WalkerConfigurations.h:56
QMCDriverInterface.h
qmcplusplus::DMCFactoryNew::create
std::unique_ptr< QMCDriverInterface > create(const ProjectData &project_data, const std::optional< EstimatorManagerInput > global_emi, WalkerConfigurations &wc, MCPopulation &&pop, Communicate *comm)
create a DMCBatched driver.
Definition:
DMCFactoryNew.cpp:19
Communicate
Wrapping information on parallelism.
Definition:
Communicate.h:68
qmcplusplus::DMCFactoryNew::dmc_mode_
const int dmc_mode_
Definition:
DMCFactoryNew.h:29
WaveFunctionPool.h
Declaration of WaveFunctionPool.
qmcplusplus::MCPopulation
Definition:
MCPopulation.h:38
qmcplusplus::comm
Communicate * comm
Definition:
test_EstimatorManagerNew.cpp:50
Communicate.h
qmcplusplus::DMCFactoryNew::DMCFactoryNew
DMCFactoryNew(xmlNodePtr cur, const int dmc_mode)
Definition:
DMCFactoryNew.h:33
qmcplusplus::DMCFactoryNew
Definition:
DMCFactoryNew.h:26
src
QMCDrivers
DMC
DMCFactoryNew.h
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