QMCPACK
ChiesaCorrection.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 // Mark A. Berrill, berrillma@ornl.gov, Oak Ridge National Laboratory
10 //
11 // File created by: Ken Esler, kpesler@gmail.com, University of Illinois at Urbana-Champaign
12 //////////////////////////////////////////////////////////////////////////////////////
13 
14 
15 #include "ChiesaCorrection.h"
17 
18 namespace qmcplusplus
19 {
20 ChiesaCorrection::ChiesaCorrection(ParticleSet& ptcl, const TrialWaveFunction& psi) : psi_ref_(psi), ptcl_ref_(ptcl) {}
21 
22 std::string ChiesaCorrection::getClassName() const { return "ChiesaCorrection"; }
23 
25 
26 bool ChiesaCorrection::put(xmlNodePtr cur) { return true; }
27 
28 bool ChiesaCorrection::get(std::ostream& os) const
29 {
30  os << "Chiesa correction: " << ptcl_ref_.getName();
31  return true;
32 }
33 
34 std::unique_ptr<OperatorBase> ChiesaCorrection::makeClone(ParticleSet& qp, TrialWaveFunction& psi)
35 {
36  return std::make_unique<ChiesaCorrection>(qp, psi);
37 }
38 
40 
41 } // namespace qmcplusplus
const std::string & getName() const
return the name
helper functions for EinsplineSetBuilder
Definition: Configuration.h:43
std::string getClassName() const override
return class name
Return_t evaluate(ParticleSet &P) override
Evaluate the local energy contribution of this component.
ChiesaCorrection(ParticleSet &ptcl, const TrialWaveFunction &psi)
const TrialWaveFunction & psi_ref_
bool put(xmlNodePtr cur) override
Read the input parameter.
void resetTargetParticleSet(ParticleSet &P) override
Reset the data with the target ParticleSet.
Specialized paritlce class for atomistic simulations.
Definition: ParticleSet.h:55
FullPrecRealType Return_t
type of return value of evaluate
Definition: OperatorBase.h:64
Class to represent a many-body trial wave function.
Return_t value_
current value
Definition: OperatorBase.h:524
bool get(std::ostream &os) const override
write about the class
std::unique_ptr< OperatorBase > makeClone(ParticleSet &qp, TrialWaveFunction &psi) final