QMCPACK
DMCFactoryNew.h
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1 //////////////////////////////////////////////////////////////////////////////////////
2 // This file is distributed under the University of Illinois/NCSA Open Source License.
3 // See LICENSE file in top directory for details.
4 //
5 // Copyright (c) 2019 QMCPACK developers.
6 //
7 // File developed by: Peter Doak, doakpw@ornl.gov, Oak Ridge National Lab
8 //
9 // Refactored from: DMCFactor.h
10 //////////////////////////////////////////////////////////////////////////////////////
11 
12 
13 #ifndef QMCPLUSPLUS_DMCFACTORYNEW_H
14 #define QMCPLUSPLUS_DMCFACTORYNEW_H
17 #include "Message/Communicate.h"
18 
19 namespace qmcplusplus
20 {
21 class ParticleSetPool;
22 class HamiltonianPool;
23 class MCPopulation;
24 class ProjectData;
25 
27 {
28 private:
29  const int dmc_mode_;
30  xmlNodePtr input_node_;
31 
32 public:
33  DMCFactoryNew(xmlNodePtr cur, const int dmc_mode) : dmc_mode_(dmc_mode), input_node_(cur) {}
34 
35  /** create a DMCBatched driver.
36  * \param[in] project_data containing so basic options including DriverVersion and max_cpu_seconds
37  * \param[in] global_emi optional global estimator manager input passed by value to insure copy,
38  * a global input should not be consumed by driver.
39  */
40  std::unique_ptr<QMCDriverInterface> create(const ProjectData& project_data,
41  const std::optional<EstimatorManagerInput> global_emi,
43  MCPopulation&& pop,
44  Communicate* comm);
45 };
46 } // namespace qmcplusplus
47 
48 #endif
helper functions for EinsplineSetBuilder
Definition: Configuration.h:43
class ProjectData
Definition: ProjectData.h:36
A set of light weight walkers that are carried between driver sections and restart.
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.
Wrapping information on parallelism.
Definition: Communicate.h:68
Declaration of WaveFunctionPool.
DMCFactoryNew(xmlNodePtr cur, const int dmc_mode)
Definition: DMCFactoryNew.h:33