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QMCPACK
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QMCPACK
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An abstract class for wave function builders. More...
Inheritance diagram for WaveFunctionComponentBuilder: Collaboration diagram for WaveFunctionComponentBuilder:Public Types | |
| using | RealType = WaveFunctionComponent::RealType |
| using | ValueType = WaveFunctionComponent::ValueType |
| using | PosType = WaveFunctionComponent::PosType |
| using | GradType = WaveFunctionComponent::GradType |
| using | PSetMap = std::map< std::string, const std::unique_ptr< ParticleSet > > |
| Public Types inherited from MPIObjectBase | |
| using | mpi_comm_type = Communicate::mpi_comm_type |
Public Member Functions | |
| WaveFunctionComponentBuilder (Communicate *comm, ParticleSet &p) | |
| constructor More... | |
| virtual | ~WaveFunctionComponentBuilder ()=default |
| virtual std::unique_ptr< WaveFunctionComponent > | buildComponent (xmlNodePtr cur)=0 |
| process a xml node at cur More... | |
| Public Member Functions inherited from MPIObjectBase | |
| MPIObjectBase (Communicate *c) | |
| constructor with communicator More... | |
| int | rank () const |
| return the rank of the communicator More... | |
| int | getGroupID () const |
| return the group id of the communicator More... | |
| Communicate * | getCommunicator () const |
| return myComm More... | |
| Communicate & | getCommRef () const |
| return a TEMPORARY reference to Communicate More... | |
| mpi_comm_type | getMPI () const |
| return MPI communicator if one wants to use MPI directly More... | |
| bool | is_manager () const |
| return true if the rank == 0 More... | |
| const std::string & | getName () const |
| return the name More... | |
| void | setName (const std::string &aname) |
Static Public Attributes | |
| static std::string | wfs_tag = "wavefunction" |
| reserved tags for the elements associated with the many-body wavefunctions More... | |
| static std::string | param_tag = "parameter" |
| the element name for a parameter More... | |
| static std::string | dtable_tag = "distancetable" |
| the element name for a distancetable More... | |
| static std::string | jastrow_tag = "jastrow" |
| the element name for jatrow More... | |
| static std::string | detset_tag = "determinantset" |
| the element name for a set of Slater determinants, contains 1..* Slater determinants More... | |
| static std::string | sd_tag = "slaterdeterminant" |
| the element name for a Slater determinant, contains 1..* determinants More... | |
| static std::string | det_tag = "determinant" |
| the element name for a determinant, may contain (0..*) orbital or parameter element More... | |
| static std::string | rn_tag = "determinant_rn" |
| the element name for a released node determinant, may contain (0..*) orbital or parameter element More... | |
| static std::string | spo_tag = "psi" |
| the element name for single-particle orbital More... | |
| static std::string | sposet_tag = "sposet" |
| the element name for single-particle orbital set More... | |
| static std::string | ionorb_tag = "ionwf" |
| the element name for an ion wavefunction More... | |
| static std::string | backflow_tag = "backflow" |
| the element name for a backflow transformation More... | |
| static std::string | multisd_tag = "multideterminant" |
| the element name for a multi slater determinant wavefunction More... | |
Protected Attributes | |
| ParticleSet & | targetPtcl |
| reference to the particle set on which targetPsi is defined More... | |
| xmlNodePtr | myNode |
| xmlNode operated by this object More... | |
| Protected Attributes inherited from MPIObjectBase | |
| Communicate * | myComm |
| pointer to Communicate More... | |
| std::string | ClassName |
| class Name More... | |
| std::string | myName |
| name of the object More... | |
An abstract class for wave function builders.
Definition at line 36 of file WaveFunctionComponentBuilder.h.
Definition at line 42 of file WaveFunctionComponentBuilder.h.
Definition at line 41 of file WaveFunctionComponentBuilder.h.
| using PSetMap = std::map<std::string, const std::unique_ptr<ParticleSet> > |
Definition at line 43 of file WaveFunctionComponentBuilder.h.
Definition at line 39 of file WaveFunctionComponentBuilder.h.
Definition at line 40 of file WaveFunctionComponentBuilder.h.
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constructor
| comm | communicator |
| p | target particle set |
Each builder class builds an object for composing a many-body wavefunction.
Definition at line 84 of file WaveFunctionComponentBuilder.h.
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pure virtual |
process a xml node at cur
Implemented in SlaterDetBuilder, RadialJastrowBuilder, kSpaceJastrowBuilder, AGPDeterminantBuilder, ExampleHeBuilder, JastrowBuilder, eeI_JastrowBuilder, LatticeGaussianProductBuilder, and CountingJastrowBuilder.
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xmlNode operated by this object
Definition at line 95 of file WaveFunctionComponentBuilder.h.
Referenced by JastrowBuilder::buildComponent().
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reference to the particle set on which targetPsi is defined
Definition at line 92 of file WaveFunctionComponentBuilder.h.
Referenced by JastrowBuilder::build_eeI(), LatticeGaussianProductBuilder::buildComponent(), eeI_JastrowBuilder::buildComponent(), AGPDeterminantBuilder::buildComponent(), kSpaceJastrowBuilder::buildComponent(), RadialJastrowBuilder::buildComponent(), SlaterDetBuilder::buildComponent(), JastrowBuilder::buildCounting(), JastrowBuilder::buildkSpace(), JastrowBuilder::buildOneBody(), JastrowBuilder::buildTwoBody(), RadialJastrowBuilder::computeJ2uk(), AGPDeterminantBuilder::createAGP(), CountingJastrowBuilder::createCJ(), RadialJastrowBuilder::createJ1(), RadialJastrowBuilder::createJ2(), SlaterDetBuilder::createMSDFast(), RadialJastrowBuilder::guardAgainstOBC(), RadialJastrowBuilder::guardAgainstPBC(), RadialJastrowBuilder::initTwoBodyFunctor(), SlaterDetBuilder::putDeterminant(), eeI_JastrowBuilder::putkids(), and JastrowBuilder::resetOptions().
1.8.14