Configuration Queries

Detailed Description

Data formatters that return Configuration properties.

Classes
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::RelaxationStrain
	The strain of the configuration due to relaxation, measured relative to ideal lattice vectors. More...
class	CASM::ConfigIO::DoFStrain
	The strain DoF value of the configuration. More...
class	CASM::ConfigIO::StrucScore
	Evaluates the mapping of a configuration onto an arbitrary primitive structure. More...
class	CASM::DB::Selected< ObjType >
	Returns true if configuration is specified in given selection (default: MASTER) 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 > ()
template<>
MatrixXdAttributeDictionary< Configuration >	CASM::make_matrixxd_dictionary< Configuration > ()

Function Documentation

make_boolean_dictionary< Configuration >()

template<>

BooleanAttributeDictionary< Configuration > CASM::make_boolean_dictionary< Configuration >

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Definition at line 43 of file ConfigIO.cc.

make_integer_dictionary< Configuration >()

template<>

IntegerAttributeDictionary< Configuration > CASM::make_integer_dictionary< Configuration >

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Definition at line 43 of file ConfigIO.cc.

make_matrixxd_dictionary< Configuration >()

template<>

MatrixXdAttributeDictionary< Configuration > CASM::make_matrixxd_dictionary< Configuration >

(

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Definition at line 43 of file ConfigIO.cc.

make_scalar_dictionary< Configuration >()

template<>

ScalarAttributeDictionary< Configuration > CASM::make_scalar_dictionary< Configuration >

(

)

Definition at line 43 of file ConfigIO.cc.

make_string_dictionary< Configuration >()

template<>

StringAttributeDictionary< Configuration > CASM::make_string_dictionary< Configuration >

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)

Definition at line 43 of file ConfigIO.cc.

make_vectorxd_dictionary< Configuration >()

template<>

VectorXdAttributeDictionary< Configuration > CASM::make_vectorxd_dictionary< Configuration >

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)

Definition at line 43 of file ConfigIO.cc.