|
CASM
AClustersApproachtoStatisticalMechanics
|
|
CASM
AClustersApproachtoStatisticalMechanics
|
Data formatters that return Configuration properties.
Namespaces | |
| CASM::ConfigIO_impl | |
| CASM::ConfigIO | |
| Contains ConfigIO classes and functions. | |
Classes | |
| 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... | |
| class | CASM::ConfigIO::BaseHull< ValueType > |
| Base class for hull info formatters. More... | |
| class | CASM::ConfigIO::OnHull |
| Returns a boolean indicating if a Configuration is a convex hull vertex. More... | |
| class | CASM::ConfigIO::HullDist |
| Returns the distance, in eV, of a configuration's formation_energy_per_atom above the convex hull. More... | |
| class | CASM::ConfigIO::OnClexHull |
| Returns a boolean indicating if a Configuration is a predicted convex hull vertex. More... | |
| class | CASM::ConfigIO::ClexHullDist |
| Returns the distance, in eV, of a configuration's clex(formation_energy_per_atom) above the predicted convex hull. More... | |
| class | CASM::ConfigIO::Novelty |
| A DatumFormatter class to measure the 'novelty' of a configuration with respect to a population of configurations Larger numbers indicate a more novel configuration, and a very large number (>~100) indicates a configuration that is linearly independent from the population (in terms of its correlations) More... | |
| class | CASM::ConfigIO::Selected |
| Returns true if configuration is specified in given selection (default: MASTER) More... | |
| class | CASM::ConfigIO::RelaxationStrain |
| The strain of the configuration due to relaxation, measured relative to ideal lattice vectors. More... | |
| class | CASM::ConfigIO::DoFStrain |
| The strain of the configuration due to relaxation, measured relative to ideal lattice vectors. More... | |
| class | CASM::ConfigIO::StrucScore |
| Evaluates the mapping of a configuration onto an arbitrary primitive structure. More... | |
| class | CASM::ConfigIO::TestCompN |
| Calculate number of each species per unit cell. More... | |
Functions | |
| 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 > () |
| BooleanAttributeDictionary< Configuration > CASM::make_boolean_dictionary< Configuration > | ( | ) |
Definition at line 550 of file ConfigIO.cc.
| IntegerAttributeDictionary< Configuration > CASM::make_integer_dictionary< Configuration > | ( | ) |
Definition at line 569 of file ConfigIO.cc.
| ScalarAttributeDictionary< Configuration > CASM::make_scalar_dictionary< Configuration > | ( | ) |
Definition at line 583 of file ConfigIO.cc.
| StringAttributeDictionary< Configuration > CASM::make_string_dictionary< Configuration > | ( | ) |
Definition at line 533 of file ConfigIO.cc.
| VectorXdAttributeDictionary< Configuration > CASM::make_vectorxd_dictionary< Configuration > | ( | ) |
Definition at line 611 of file ConfigIO.cc.
1.8.8 
