QMCPACK
CSVMCUpdatePbyP.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 // Jeremy McMinnis, jmcminis@gmail.com, University of Illinois at Urbana-Champaign
9 // Raymond Clay III, j.k.rofling@gmail.com, Lawrence Livermore National Laboratory
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 #ifndef QMCPLUSPLUS_CS_VMC_UPDATEPBYP_H
17 #define QMCPLUSPLUS_CS_VMC_UPDATEPBYP_H
19 namespace qmcplusplus
20 {
21 /** @ingroup QMCDrivers MultiplePsi ParticleByParticle
22  * @brief Implements the VMC algorithm
23  */
25 {
26 public:
27  /// Constructor.
29  std::vector<TrialWaveFunction*>& psi,
30  std::vector<QMCHamiltonian*>& h,
32 
33  ~CSVMCUpdatePbyP() override;
34 
35  void advanceWalker(Walker_t& thisWalker, bool recompute) override;
36 
37 private:
38 };
39 /** @ingroup QMCDrivers MultiplePsi ParticleByParticle
40  *
41  * @brief Implements the VMC algorithm with drift.
42  */
44 {
45 public:
46  /// Constructor.
48  std::vector<TrialWaveFunction*>& psi,
49  std::vector<QMCHamiltonian*>& h,
51 
53 
54  void advanceWalker(Walker_t& thisWalker, bool recompute) override;
55 
56 private:
57 };
58 } // namespace qmcplusplus
59 
60 #endif
A set of walkers that are to be advanced by Metropolis Monte Carlo.
helper functions for EinsplineSetBuilder
Definition: Configuration.h:43
Implements the VMC algorithm
Definition of CSVUpdateBase.
Implements the VMC algorithm with drift.
void advanceWalker(Walker_t &thisWalker, bool recompute) override
move a walker
CSVMCUpdatePbyPWithDriftFast(MCWalkerConfiguration &w, std::vector< TrialWaveFunction *> &psi, std::vector< QMCHamiltonian *> &h, RandomBase< FullPrecRealType > &rg)
Constructor.
CSVMCUpdatePbyP(MCWalkerConfiguration &w, std::vector< TrialWaveFunction *> &psi, std::vector< QMCHamiltonian *> &h, RandomBase< FullPrecRealType > &rg)
Constructor.
A container class to represent a walker.
Definition: Walker.h:49