QMCPACK
DMCFactory.cpp
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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: Ken Esler, kpesler@gmail.com, University of Illinois at Urbana-Champaign
8 // Jeremy McMinnis, jmcminis@gmail.com, University of Illinois at Urbana-Champaign
9 // Jeongnim Kim, jeongnim.kim@gmail.com, University of Illinois at Urbana-Champaign
10 // Mark A. Berrill, berrillma@ornl.gov, Oak Ridge National Laboratory
11 //
12 // File created by: Jeongnim Kim, jeongnim.kim@gmail.com, University of Illinois at Urbana-Champaign
13 //////////////////////////////////////////////////////////////////////////////////////
14 
15 
16 #include "DMCFactory.h"
17 #include "QMCDrivers/DMC/DMC.h"
18 #include "Concurrency/OpenMP.h"
19 #include "RandomNumberControl.h"
20 
21 //#define PETA_DMC_TEST
22 namespace qmcplusplus
23 {
24 std::unique_ptr<QMCDriver> DMCFactory::create(const ProjectData& project_data,
26  TrialWaveFunction& psi,
27  QMCHamiltonian& h,
29  bool enable_profiling)
30 {
31  auto qmc = std::make_unique<DMC>(project_data, w, psi, h, RandomNumberControl::Children, comm, enable_profiling);
32  qmc->setUpdateMode(PbyPUpdate);
33  return qmc;
34 }
35 } // namespace qmcplusplus
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
static UPtrVector< RandomBase< FullPrecRealType > > Children
Class to represent a many-body trial wave function.
Define OpenMP-able DMC Driver.