Collaboration diagram for SpaceGridEnv< ValidSpaceGridInput::valid::CYLINDRICAL >:

Public Types
using	Input = ValidSpaceGridInput

Public Member Functions
	SpaceGridEnv (Communicate *comm)

Public Attributes
UPtr< ReferencePointsInput >	rpi_

UPtr< SpaceGridInput >	sgi_

UPtr< NEReferencePoints >	ref_points_

RefVector< ParticleSet >	ref_psets_

ParticleSetPool	particle_pool_

ParticleSet	pset_elec_

ParticleSet	pset_ions_

Detailed Description

template<>
class qmcplusplus::testing::SpaceGridEnv< ValidSpaceGridInput::valid::CYLINDRICAL >

Definition at line 83 of file test_NESpaceGrid.cpp.

Member Typedef Documentation

◆ Input

using Input = ValidSpaceGridInput

Definition at line 86 of file test_NESpaceGrid.cpp.

Constructor & Destructor Documentation

◆ SpaceGridEnv()

SpaceGridEnv ( Communicate * comm )

inline

Definition at line 87 of file test_NESpaceGrid.cpp.

References qmcplusplus::doc, Libxml2Document::getRoot(), qmcplusplus::node, qmcplusplus::okay, Libxml2Document::parseFromString(), SpaceGridEnv< VALID >::pset_elec_, SpaceGridEnv< VALID >::pset_ions_, SpaceGridEnv< VALID >::ref_points_, SpaceGridEnv< VALID >::ref_psets_, SpaceGridEnv< VALID >::rpi_, SpaceGridEnv< VALID >::sgi_, and ValidSpaceGridInput::xml.

       : particle_pool_(MinimalParticlePool::make_H2(comm)),
         pset_elec_(*(particle_pool_.getParticleSet("e"))),
         pset_ions_(*(particle_pool_.getParticleSet("ion")))
   {
     Libxml2Document doc;
     bool okay       = doc.parseFromString(Input::xml[ValidSpaceGridInput::valid::CYLINDRICAL]);
     xmlNodePtr node = doc.getRoot();
     sgi_            = std::make_unique<SpaceGridInput>(node);
 
     using RPInput = ValidReferencePointsInputs;
     Libxml2Document doc2;
     bool okay2       = doc.parseFromString(RPInput::xml[RPInput::CELL]);
     xmlNodePtr node2 = doc.getRoot();
     rpi_             = std::make_unique<ReferencePointsInput>(node2);
     ref_psets_.push_back(pset_ions_);
     ref_points_ = std::make_unique<NEReferencePoints>(*rpi_, pset_elec_, ref_psets_);
   }