QMCPACK
VMCUpdatePbyP.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: Ken Esler, kpesler@gmail.com, University of Illinois at Urbana-Champaign
8 // Jeongnim Kim, jeongnim.kim@gmail.com, University of Illinois at Urbana-Champaign
9 // Jeremy McMinnis, jmcminis@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 #ifndef QMCPLUSPLUS_VMC_PARTICLEBYPARTICLE_UPDATE_H
17 #define QMCPLUSPLUS_VMC_PARTICLEBYPARTICLE_UPDATE_H
19 
20 namespace qmcplusplus
21 {
22 /** @ingroup QMCDrivers ParticleByParticle
23  *@brief Implements the VMC algorithm using particle-by-particle move.
24  */
26 {
27 public:
28  /// Constructor.
30 
31  ~VMCUpdatePbyP() 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
Collection of Local Energy Operators.
Timer accumulates time and call counts.
Definition: NewTimer.h:135
VMCUpdatePbyP(MCWalkerConfiguration &w, TrialWaveFunction &psi, QMCHamiltonian &h, RandomBase< FullPrecRealType > &rg)
Constructor.
Implements the VMC algorithm using particle-by-particle move.
Definition: VMCUpdatePbyP.h:25
void advanceWalker(Walker_t &thisWalker, bool recompute) override
move a walker
Class to represent a many-body trial wave function.
Declare QMCUpdateBase class.
A container class to represent a walker.
Definition: Walker.h:49