QMCPACK
ExampleHeBuilder.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) 2019 QMCPACK developers.
6 //
7 // File developed by: Mark Dewing, mdewing@anl.gov, Argonne National Laboratory
8 //
9 // File created by: Mark Dewing, mdewing@anl.gov, Argonne National Laboratory
10 //////////////////////////////////////////////////////////////////////////////////////
11 
12 
13 /**@file ExampleHeBuilder.h
14  *@brief Example builder for simple He wavefunction.
15  */
16 #ifndef QMCPLUSPLUS_EXAMPLEHEBUILDER_H
17 #define QMCPLUSPLUS_EXAMPLEHEBUILDER_H
18 
21 
22 /**@defgroup WFSBuilder Orbital builder group
23  * @brief Builder classes to add WaveFunctionComponent to a TrialWaveFunction
24  */
25 namespace qmcplusplus
26 {
28 {
29 public:
31 
32  std::unique_ptr<WaveFunctionComponent> buildComponent(xmlNodePtr cur) override;
33 
34 private:
35  const PSetMap& ptclPool;
37 };
38 
39 
40 } // namespace qmcplusplus
41 #endif
ExampleHeBuilder(Communicate *comm, ParticleSet &p, const PSetMap &psets)
helper functions for EinsplineSetBuilder
Definition: Configuration.h:43
An abstract class for wave function builders.
std::map< std::string, const std::unique_ptr< ParticleSet > > PSetMap
Wrapping information on parallelism.
Definition: Communicate.h:68
Specialized paritlce class for atomistic simulations.
Definition: ParticleSet.h:55
Declaration of a TrialWaveFunction.
std::unique_ptr< WaveFunctionComponent > buildComponent(xmlNodePtr cur) override
process a xml node at cur
declaration of the base class for many-body wavefunction.