QMCPACK
DMCFactory.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) 2016 Jeongnim Kim and QMCPACK developers.
6 //
7 // File developed by: Jeongnim Kim, jeongnim.kim@gmail.com, University of Illinois at Urbana-Champaign
8 // Ken Esler, kpesler@gmail.com, University of Illinois at Urbana-Champaign
9 // Jeremy McMinnis, jmcminis@gmail.com, University of Illinois at Urbana-Champaign
10 //
11 // File created by: Jeongnim Kim, jeongnim.kim@gmail.com, University of Illinois at Urbana-Champaign
12 //////////////////////////////////////////////////////////////////////////////////////
13 
14 
15 #ifndef QMCPLUSPLUS_DMC_FACTORY_H
16 #define QMCPLUSPLUS_DMC_FACTORY_H
17 #include "QMCDrivers/QMCDriver.h"
19 
20 namespace qmcplusplus
21 {
23 {
24 private:
25  bool PbyPUpdate, GPU;
26  xmlNodePtr myNode;
27 
28 public:
29  DMCFactory(bool pbyp, bool gpu, xmlNodePtr cur) : PbyPUpdate(pbyp), GPU(gpu), myNode(cur) {}
30 
31  std::unique_ptr<QMCDriver> create(const ProjectData& project_data,
33  TrialWaveFunction& psi,
34  QMCHamiltonian& h,
36  bool enable_profiling);
37 };
38 } // namespace qmcplusplus
39 
40 #endif
std::unique_ptr< QMCDriver > create(const ProjectData &project_data, MCWalkerConfiguration &w, TrialWaveFunction &psi, QMCHamiltonian &h, Communicate *comm, bool enable_profiling)
Definition: DMCFactory.cpp:24
A set of walkers that are to be advanced by Metropolis Monte Carlo.
helper functions for EinsplineSetBuilder
Definition: Configuration.h:43
class ProjectData
Definition: ProjectData.h:36
Collection of Local Energy Operators.
Wrapping information on parallelism.
Definition: Communicate.h:68
Declaration of QMCDriver.
Declaration of HamiltonianPool.
Class to represent a many-body trial wave function.
DMCFactory(bool pbyp, bool gpu, xmlNodePtr cur)
Definition: DMCFactory.h:29