QMCPACK
SOVMCUpdatePbyP.h
Go to the documentation of this file.
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) 2020 QMCPACK developers.
6 //
7 // File developed by: Cody A. Melton, cmelton@sandia.gov, Sandia National Laboratories
8 //
9 // File created by: Cody A. Melton, cmelton@sandia.gov, Sandia National Laboratories
10 //////////////////////////////////////////////////////////////////////////////////////
11 
12 
13 #ifndef QMCPLUSPLUS_SOVMC_PARTICLEBYPARTICLE_UPDATE_H
14 #define QMCPLUSPLUS_SOVMC_PARTICLEBYPARTICLE_UPDATE_H
16 
17 namespace qmcplusplus
18 {
19 /** @ingroup QMCDrivers ParticleByParticle
20  *@brief Implements the VMC algorithm using particle-by-particle move, including spin-moves
21  */
23 {
24 public:
25  /// Constructor.
27  TrialWaveFunction& psi,
28  QMCHamiltonian& h,
30 
31  ~SOVMCUpdatePbyP() override;
32 
33  void advanceWalker(Walker_t& thisWalker, bool recompute) override;
34 
35 private:
40 };
41 
42 } // namespace qmcplusplus
43 
44 #endif
Base class for update methods for each step.
Definition: QMCUpdateBase.h:41
A set of walkers that are to be advanced by Metropolis Monte Carlo.
helper functions for EinsplineSetBuilder
Definition: Configuration.h:43
SOVMCUpdatePbyP(MCWalkerConfiguration &w, TrialWaveFunction &psi, QMCHamiltonian &h, RandomBase< FullPrecRealType > &rg)
Constructor.
Collection of Local Energy Operators.
Timer accumulates time and call counts.
Definition: NewTimer.h:135
void advanceWalker(Walker_t &thisWalker, bool recompute) override
move a walker
Implements the VMC algorithm using particle-by-particle move, including spin-moves ...
Class to represent a many-body trial wave function.
Declare QMCUpdateBase class.
A container class to represent a walker.
Definition: Walker.h:49