QMCPACK
kSpaceJastrowBuilder.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_KSPACE_JASTROW_BUILDER_H
16 #define QMCPLUSPLUS_KSPACE_JASTROW_BUILDER_H
19 
20 namespace qmcplusplus
21 {
22 //forward declaration
23 class ParticleSet;
24 
26 {
27 public:
29  std::map<std::string, kSpaceJastrow::SymmetryType> SymmMap;
30  // One-body constructor
32  : WaveFunctionComponentBuilder(comm, target), sourcePtcl(source)
33  {
34  // nothing for now
35  SymmMap["crystal"] = kSpaceJastrow::CRYSTAL;
36  SymmMap["isotropic"] = kSpaceJastrow::ISOTROPIC;
38  }
39 
40  std::unique_ptr<WaveFunctionComponent> buildComponent(xmlNodePtr cur) override;
41  void outputJastrow(kSpaceJastrow* jastrow);
42 };
43 
44 } // namespace qmcplusplus
45 #endif
helper functions for EinsplineSetBuilder
Definition: Configuration.h:43
An abstract class for wave function builders.
std::map< std::string, kSpaceJastrow::SymmetryType > SymmMap
Wrapping information on parallelism.
Definition: Communicate.h:68
Specialized paritlce class for atomistic simulations.
Definition: ParticleSet.h:55
Declaration of Long-range TwoBody Jastrow.
void outputJastrow(kSpaceJastrow *jastrow)
kSpaceJastrowBuilder(Communicate *comm, ParticleSet &target, const ParticleSet &source)
std::unique_ptr< WaveFunctionComponent > buildComponent(xmlNodePtr cur) override
process a xml node at cur
declaration of the base class for many-body wavefunction.