mpqc::lcao::pbc::DfJzRHF< Tile, Policy > Class Template Reference

Documentation

template<typename Tile, typename Policy>
class mpqc::lcao::pbc::DfJzRHF< Tile, Policy >

DfJzRHF class uses multipole-conserving density fitting for Coulomb and 4-center-K for exchange.

Public Types
using	factory_type = typename pbc::SD::Impl< Tile, Policy >::factory_type
using	array_type = typename pbc::SD::Impl< Tile, Policy >::array_type

Public Member Functions
	DfJzRHF (const KeyVal &kv)
	KeyVal constructor for DfJzRHF. More...
	~DfJzRHF ()

Member Typedef Documentation

array_type

template<typename Tile , typename Policy >

using mpqc::lcao::pbc::DfJzRHF< Tile, Policy >::array_type = typename pbc::SD::Impl<Tile, Policy>::array_type

factory_type

template<typename Tile , typename Policy >

using mpqc::lcao::pbc::DfJzRHF< Tile, Policy >::factory_type = typename pbc::SD::Impl<Tile, Policy>::factory_type

Constructor & Destructor Documentation

DfJzRHF()

template<typename Tile , typename Policy >

mpqc::lcao::pbc::DfJzRHF< Tile, Policy >::DfJzRHF

(

const KeyVal &

kv

)

KeyVal constructor for DfJzRHF.

Parameters

kv	The KeyVal object takes same keywords in zRHF.

example input:

"wfn": {
  "type": "DFJ-zRHF",
  "atoms": "$:h2o",
  "wfn_world": "$:wfn_world",
  "max_iter": 100,
  "soad_guess": true,
  "print_detail": true,
  "max_condition_num": 1e8,
  "print_max_item": 100
}

DfJzRHF member functions

~DfJzRHF()

template<typename Tile , typename Policy >

mpqc::lcao::pbc::DfJzRHF< Tile, Policy >::~DfJzRHF ( )

inline

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The documentation for this class was generated from the following files:

• mpqc/chemistry/qc/lcao/scf/fwd.h
• mpqc/chemistry/qc/lcao/scf/pbc/rhf.h
• mpqc/chemistry/qc/lcao/scf/pbc/rhf.ipp