CASM  1.1.0
A Clusters Approach to Statistical Mechanics
Public Member Functions | Public Attributes | List of all members
CASM::WriteBasisSetDataImpl Struct Reference

Detailed Description

Write clust.json, basis.json, and clexulator source code, given orbits.

Definition at line 431 of file PrimClex.cc.

Public Member Functions

 WriteBasisSetDataImpl (std::shared_ptr< Structure const > _shared_prim, ProjectSettings const &_settings, std::string const &_basis_set_name, ClexBasisSpecs const &_basis_set_specs, PrimNeighborList &_prim_neighbor_list)
 
template<typename OrbitVecType >
void operator() (OrbitVecType const &orbits) const
 

Public Attributes

std::shared_ptr< Structure const > shared_prim
 
ProjectSettings const & settings
 
std::string const & basis_set_name
 
ClexBasisSpecs const & basis_set_specs
 
PrimNeighborList & prim_neighbor_list
 

Constructor & Destructor Documentation

◆ WriteBasisSetDataImpl()

CASM::WriteBasisSetDataImpl::WriteBasisSetDataImpl ( std::shared_ptr< Structure const >  _shared_prim,
ProjectSettings const &  _settings,
std::string const &  _basis_set_name,
ClexBasisSpecs const &  _basis_set_specs,
PrimNeighborList &  _prim_neighbor_list 
)
inline

Definition at line 432 of file PrimClex.cc.

Member Function Documentation

◆ operator()()

template<typename OrbitVecType >
void CASM::WriteBasisSetDataImpl::operator() ( OrbitVecType const &  orbits) const
inline

Definition at line 450 of file PrimClex.cc.

Member Data Documentation

◆ basis_set_name

std::string const& CASM::WriteBasisSetDataImpl::basis_set_name

Definition at line 445 of file PrimClex.cc.

◆ basis_set_specs

ClexBasisSpecs const& CASM::WriteBasisSetDataImpl::basis_set_specs

Definition at line 446 of file PrimClex.cc.

◆ prim_neighbor_list

PrimNeighborList& CASM::WriteBasisSetDataImpl::prim_neighbor_list

Definition at line 447 of file PrimClex.cc.

◆ settings

ProjectSettings const& CASM::WriteBasisSetDataImpl::settings

Definition at line 444 of file PrimClex.cc.

◆ shared_prim

std::shared_ptr<Structure const> CASM::WriteBasisSetDataImpl::shared_prim

Definition at line 443 of file PrimClex.cc.

The documentation for this struct was generated from the following file: