ConfigIO.hh File Reference

#include "casm/casm_io/DataFormatter.hh"
#include "casm/casm_io/DataFormatterTools.hh"
#include "casm/container/ContainerTraits.hh"
#include "casm/clex/Clexulator.hh"
#include "casm/clex/ECIContainer.hh"

Go to the source code of this file.

Classes
class	CASM::Norm< DataObject >
singleton	CASM::ConfigSelection< IsConst >
class	CASM::ConfigIO_impl::MolDependent
	Returns fraction of sites occupied by a species. More...
class	CASM::ConfigIO::Comp
	Calculate param composition of a Configuration. More...
class	CASM::ConfigIO::CompN
	Calculate number of each species per unit cell. More...
class	CASM::ConfigIO::SiteFrac
	Returns fraction of sites occupied by a species, including vacancies. More...
class	CASM::ConfigIO::AtomFrac
	Returns fraction of all species that are a particular species, excluding vacancies. More...
class	CASM::ConfigIO::MagBase
	Returns the site-specific magnetic moments. More...
class	CASM::ConfigIO::Corr
	Returns correlation values. More...
class	CASM::ConfigIO::Clex
	Returns predicted formation energy. More...

Namespaces
	CASM
	Main CASM namespace.
	CASM::ConfigIO_impl
	CASM::ConfigIO
	Contains ConfigIO classes and functions.

Typedefs
template<typename ValueType >
using	CASM::ConfigIO::GenericConfigFormatter = GenericDatumFormatter< ValueType, Configuration >
	Template alias for Configuration formatters of specified ValueType. More...
template<typename ValueType >
using	CASM::ConfigIO::ConstantValue = ConstantValueFormatter< ValueType, Configuration >
typedef AtomFrac	CASM::ConfigIO::SpeciesFrac
	In the future, AtomFrac will actually be atoms only. More...

Functions
ConfigIO::GenericConfigFormatter < std::string >	CASM::ConfigIO::configname ()
	Constructs DataFormmaterDictionary containing all Configuration DatumFormatters. More...
ConfigIO::GenericConfigFormatter < std::string >	CASM::ConfigIO::scelname ()
ConfigIO::GenericConfigFormatter < std::string >	CASM::ConfigIO::calc_status ()
ConfigIO::GenericConfigFormatter < std::string >	CASM::ConfigIO::failure_type ()
ConfigIO::GenericConfigFormatter < Index >	CASM::ConfigIO::scel_size ()
ConfigIO::GenericConfigFormatter < Index >	CASM::ConfigIO::multiplicity ()
ConfigIO::GenericConfigFormatter < std::string >	CASM::ConfigIO::subgroup_name ()
template<bool IsConst>
ConfigIO::Selected	CASM::ConfigIO::selected_in (const ConfigSelection< IsConst > &_selection)
ConfigIO::Selected	CASM::ConfigIO::selected_in ()
ConfigIO::GenericConfigFormatter < bool >	CASM::ConfigIO::is_calculated ()
ConfigIO::GenericConfigFormatter < bool >	CASM::ConfigIO::is_primitive ()
ConfigIO::GenericConfigFormatter < bool >	CASM::ConfigIO::is_canonical ()
ConfigIO::GenericConfigFormatter < double >	CASM::ConfigIO::relaxed_energy ()
ConfigIO::GenericConfigFormatter < double >	CASM::ConfigIO::relaxed_energy_per_species ()
ConfigIO::GenericConfigFormatter < double >	CASM::ConfigIO::reference_energy ()
ConfigIO::GenericConfigFormatter < double >	CASM::ConfigIO::reference_energy_per_species ()
ConfigIO::GenericConfigFormatter < double >	CASM::ConfigIO::formation_energy ()
ConfigIO::GenericConfigFormatter < double >	CASM::ConfigIO::formation_energy_per_species ()
Generic1DDatumFormatter < std::vector< double > , Configuration >	CASM::ConfigIO::relaxation_strain ()
ConfigIO::GenericConfigFormatter < double >	CASM::ConfigIO::rms_force ()
ConfigIO::GenericConfigFormatter < double >	CASM::ConfigIO::basis_deformation ()
ConfigIO::GenericConfigFormatter < double >	CASM::ConfigIO::lattice_deformation ()
ConfigIO::GenericConfigFormatter < double >	CASM::ConfigIO::volume_relaxation ()
ConfigIO::GenericConfigFormatter < double >	CASM::ConfigIO::relaxed_magmom ()
ConfigIO::GenericConfigFormatter < double >	CASM::ConfigIO::relaxed_magmom_per_species ()
template<>
StringAttributeDictionary < Configuration >	CASM::make_string_dictionary< Configuration > ()
template<>
BooleanAttributeDictionary < Configuration >	CASM::make_boolean_dictionary< Configuration > ()
template<>
IntegerAttributeDictionary < Configuration >	CASM::make_integer_dictionary< Configuration > ()
template<>
ScalarAttributeDictionary < Configuration >	CASM::make_scalar_dictionary< Configuration > ()
template<>
VectorXdAttributeDictionary < Configuration >	CASM::make_vectorxd_dictionary< Configuration > ()