CASM  1.1.0
A Clusters Approach to Statistical Mechanics
OccupationDoFTraits.cc File Reference

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Classes

struct  CASM::DoF_impl::OccupationDoFSpecs_impl::OccupationDoFSpecsValidator
 

Namespaces

 CASM
 Main CASM namespace.
 
 CASM::DoF_impl
 
 CASM::DoF_impl::OccupationDoFSpecs_impl
 
 CASM::DoFType
 
 CASM::parse_OccupationDoFSpecs_impl
 

Functions

std::vector< double > CASM::DoF_impl::chebychev_sublat_prob_vec (Index occupant_dof_size)
 
std::vector< double > CASM::DoF_impl::occupation_sublat_prob_vec (Index occupant_dof_size)
 
std::vector< double > CASM::DoF_impl::composition_sublat_prob_vec (const OccupationDoFSpecs &occ_specs, Index sublat_index, const std::vector< std::string > &allowed_occupants)
 
Validator CASM::DoF_impl::validate (OccupationDoFSpecs const &occ_specs, const Structure &prim)
 
std::vector< double > CASM::DoF_impl::_make_occ_probs (const Site &site, Index b_ind, OccupationDoFSpecs const &occ_specs)
 
void CASM::DoF_impl::_construct_orthonormal_discrete_functions (BasisSet &site_basis, Orbit< PrimPeriodicSymCompare< IntegralCluster >> const &orbit, Structure const &prim, DoF_impl::OccupationDoFSpecs const &occ_specs)
 
DoF_impl::OccupationDoFTraits CASM::DoFType::occupation ()
 
std::unique_ptr< DoFSpecs > CASM::DoFType::chebychev_bfuncs ()
 
std::unique_ptr< DoFSpecs > CASM::DoFType::occupation_bfuncs ()
 
std::unique_ptr< DoFSpecs > CASM::DoFType::composition_bfuncs (std::vector< DoF_impl::SublatComp > sublat_composition)
 
void CASM::parse_OccupationDoFSpecs_impl::from_json (std::vector< DoF_impl::SublatComp > &sublat_composition, const jsonParser &json)
 
void CASM::parse_OccupationDoFSpecs_impl::to_json (std::vector< DoF_impl::SublatComp > const &sublat_composition, jsonParser &json)
 
void CASM::parse_OccupationDoFSpecs_impl::_require_site_basis_functions (InputParser< DoF_impl::OccupationDoFSpecs > &parser, const Structure &prim)
 
void CASM::parse (InputParser< DoF_impl::OccupationDoFSpecs > &parser, const Structure &prim)
 
void CASM::to_json (const DoF_impl::OccupationDoFSpecs &occupation_dof_specs, jsonParser &json)