QMCPACK
ChiesaCorrection.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 // 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 #ifndef QMCPLUSPLUS_CHIESA_CORRECTION_H
16 #define QMCPLUSPLUS_CHIESA_CORRECTION_H
19 
20 namespace qmcplusplus
21 {
23 {
24 public:
26 
27  std::string getClassName() const override;
28 
29  void resetTargetParticleSet(ParticleSet& P) override;
30 
31  Return_t evaluate(ParticleSet& P) override;
32 
33  bool put(xmlNodePtr cur) override;
34 
35  bool get(std::ostream& os) const override;
36 
37  std::unique_ptr<OperatorBase> makeClone(ParticleSet& qp, TrialWaveFunction& psi) final;
38 
39 private:
42 };
43 
44 } // namespace qmcplusplus
45 
46 #endif
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)
Declaration of OperatorBase.
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
Declaration of a TrialWaveFunction.
An abstract class for Local Energy operators.
Definition: OperatorBase.h:59
FullPrecRealType Return_t
type of return value of evaluate
Definition: OperatorBase.h:64
Class to represent a many-body trial wave function.
std::unique_ptr< OperatorBase > makeClone(ParticleSet &qp, TrialWaveFunction &psi) final