#include <ClexDescription.hh>

Detailed Description

Specifies a particular cluster expansion.

Cluster expansions are given an identifying name as a shortcut
Cluster expansions are fully specified via:
- property: the property being expanded, for instance 'formation_energy'
- calctype: the type of calculations of the property the cluster expansion is fit to
- ref: indicates a reference used to calculate the property being expanded
- bset: the basis set used

Definition at line 23 of file ClexDescription.hh.

Public Member Functions
	ClexDescription ()

	ClexDescription (std::string _name, std::string _property, std::string _calctype, std::string _ref, std::string _bset, std::string _eci)

void	print (std::ostream &sout, bool is_default, int indent=0) const

Public Attributes
std::string	name

std::string	property

std::string	calctype

std::string	ref

std::string	bset

std::string	eci

Constructor & Destructor Documentation

◆ ClexDescription() [1/2]

CASM::ClexDescription::ClexDescription ( )

inline

Definition at line 24 of file ClexDescription.hh.

◆ ClexDescription() [2/2]

CASM::ClexDescription::ClexDescription	(	std::string	_name,
		std::string	_property,
		std::string	_calctype,
		std::string	_ref,
		std::string	_bset,
		std::string	_eci
	)

inline

Definition at line 26 of file ClexDescription.hh.

Member Function Documentation

◆ print()

void CASM::ClexDescription::print	(	std::ostream &	sout,
		bool	is_default,
		int	indent = `0`
	)		const

Definition at line 10 of file ClexDescription.cc.

Member Data Documentation

◆ bset

std::string CASM::ClexDescription::bset

Definition at line 42 of file ClexDescription.hh.

◆ calctype

std::string CASM::ClexDescription::calctype

Definition at line 40 of file ClexDescription.hh.

◆ eci

std::string CASM::ClexDescription::eci

Definition at line 43 of file ClexDescription.hh.

◆ name

std::string CASM::ClexDescription::name

Definition at line 38 of file ClexDescription.hh.

◆ property

std::string CASM::ClexDescription::property

Definition at line 39 of file ClexDescription.hh.

◆ ref

std::string CASM::ClexDescription::ref

Definition at line 41 of file ClexDescription.hh.

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

/Users/bpuchala/Work/codes/CASMcode_v0.2.X_reference/include/casm/app/ClexDescription.hh
/Users/bpuchala/Work/codes/CASMcode_v0.2.X_reference/src/casm/app/ClexDescription.cc