QMCPACK
VMCFactoryNew.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 Laboratory
8 // Ken Esler, kpesler@gmail.com, University of Illinois at Urbana-Champaign
9 // Jeongnim Kim, jeongnim.kim@gmail.com, University of Illinois at Urbana-Champaign
10 // Jeremy McMinnis, jmcminis@gmail.com, University of Illinois at Urbana-Champaign
11 // Raymond Clay III, j.k.rofling@gmail.com, Lawrence Livermore National Laboratory
12 //
13 // File created by: Jeongnim Kim, jeongnim.kim@gmail.com, University of Illinois at Urbana-Champaign
14 //////////////////////////////////////////////////////////////////////////////////////
15 
16 #ifndef QMCPLUSPLUS_VMCFACTORYNEW_H
17 #define QMCPLUSPLUS_VMCFACTORYNEW_H
20 #include "Message/Communicate.h"
21 
22 
23 namespace qmcplusplus
24 {
25 class ParticleSetPool;
26 class HamiltonianPool;
27 class MCPopulation;
28 class ProjectData;
29 
31 {
32 private:
33  const int vmc_mode_;
34  // const ?
35  xmlNodePtr input_node_;
36 
37 public:
38  VMCFactoryNew(xmlNodePtr cur, const int vmode) : vmc_mode_(vmode), input_node_(cur) {}
39 
40  /** create a VMCBatched driver.
41  * \param[in] project_data containing so basic options including DriverVersion and max_cpu_seconds
42  * \param[in] global_emi optional global estimator manager input passed by value to insure copy,
43  * a global input should not be consumed by driver.
44  */
45  std::unique_ptr<QMCDriverInterface> create(const ProjectData& project_data,
46  const std::optional<EstimatorManagerInput>& global_emi,
48  MCPopulation&& pop,
49  SampleStack& samples,
50  Communicate* comm);
51 };
52 } // namespace qmcplusplus
53 
54 #endif
VMCFactoryNew(xmlNodePtr cur, const int vmode)
Definition: VMCFactoryNew.h:38
helper functions for EinsplineSetBuilder
Definition: Configuration.h:43
std::unique_ptr< QMCDriverInterface > create(const ProjectData &project_data, const std::optional< EstimatorManagerInput > &global_emi, WalkerConfigurations &wc, MCPopulation &&pop, SampleStack &samples, Communicate *comm)
create a VMCBatched driver.
class ProjectData
Definition: ProjectData.h:36
A set of light weight walkers that are carried between driver sections and restart.
Wrapping information on parallelism.
Definition: Communicate.h:68
Declaration of WaveFunctionPool.