QMCPACK
CSVMCUpdateAll.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 /**@file CSVMCUpdateAll.h
17  * @brief Definition of CSVMCUpdateAll
18  */
19 #ifndef QMCPLUSPLUS_CS_VMC_UPDATEALL_H
20 #define QMCPLUSPLUS_CS_VMC_UPDATEALL_H
21 
23 
24 namespace qmcplusplus
25 {
26 /** @ingroup QMCDrivers WalkerByWalker MultiplePsi
27  * @brief Implements the VMC algorithm using umbrella sampling.
28  *
29  * Energy difference method with multiple H/Psi.
30  * Consult S. Chiesa's note.
31  */
33 {
34 public:
35  /// Constructor.
37  std::vector<TrialWaveFunction*>& psi,
38  std::vector<QMCHamiltonian*>& h,
40 
41  void advanceWalker(Walker_t& thisWalker, bool recompute) override;
42 
43 private:
44 };
45 
46 
48 {
49 public:
50  /// Constructor.
52  std::vector<TrialWaveFunction*>& psi,
53  std::vector<QMCHamiltonian*>& h,
55 
56  void advanceWalker(Walker_t& thisWalker, bool recompute) override;
57 
58 private:
59 };
60 } // namespace qmcplusplus
61 
62 #endif
CSVMCUpdateAll(MCWalkerConfiguration &w, std::vector< TrialWaveFunction *> &psi, std::vector< QMCHamiltonian *> &h, RandomBase< FullPrecRealType > &rg)
Constructor.
A set of walkers that are to be advanced by Metropolis Monte Carlo.
helper functions for EinsplineSetBuilder
Definition: Configuration.h:43
CSVMCUpdateAllWithDrift(MCWalkerConfiguration &w, std::vector< TrialWaveFunction *> &psi, std::vector< QMCHamiltonian *> &h, RandomBase< FullPrecRealType > &rg)
Constructor.
Definition of CSVUpdateBase.
void advanceWalker(Walker_t &thisWalker, bool recompute) override
move a walker
Implements the VMC algorithm using umbrella sampling.
void advanceWalker(Walker_t &thisWalker, bool recompute) override
move a walker
A container class to represent a walker.
Definition: Walker.h:49