aflowlib Namespace Reference

Classes
struct	_PROTO_PARAMS

Functions
std::string	PrototypeCleanLatticeString (const std::string &latticeIN)
uint	PrototypeLibrariesSpeciesNumber (const string &label)
std::set< string >	GetPrototypesByStoichiometry (const vector< uint > &stoichiometry, const string &library="all")
std::set< string >	GetPrototypesBySymmetry (const vector< uint > &stoichiometry, uint space_group_number, const vector< GroupedWyckoffPosition > &grouped_Wyckoff_positions, uint setting, const string &library="all")
xstructure	PrototypeLibraries (ostream &oss, const string &label, const string &parameters, int mode)
xstructure	PrototypeLibraries (ostream &oss, const string &label, const string &parameters, deque< string > &vatomX, int mode)
xstructure	PrototypeLibraries (ostream &oss, const string &label, const string &parameters, deque< string > &vatomX, deque< double > &vvolumeX, double volume_in, int mode)
xstructure	PrototypeLibraries (ostream &oss, string label, string parameters, deque< string > &vatomX, deque< double > &vvolumeX, double volume_in, int mode, bool flip_option)
xstructure	PrototypeLibraries (ostream &oss, _PROTO_PARAMS *PARAMS)
string	PrototypesHelp ()
string	PrototypesIcsdHelp (const string &options)
string	CALCULATED ()
string	CALCULATED_ICSD_RANDOM ()

Function Documentation

PrototypeCleanLatticeString()

std::string aflowlib::PrototypeCleanLatticeString

(

const std::string &

latticeIN

)

PrototypeLibrariesSpeciesNumber()

uint aflowlib::PrototypeLibrariesSpeciesNumber

(

const string &

label

)

GetPrototypesByStoichiometry()

std::set< string > aflowlib::GetPrototypesByStoichiometry	(	const vector< uint > &	stoichiometry,
		const string &	library = "all" )

GetPrototypesBySymmetry()

std::set< string > aflowlib::GetPrototypesBySymmetry	(	const vector< uint > &	stoichiometry,
		uint	space_group_number,
		const vector< GroupedWyckoffPosition > &	grouped_Wyckoff_positions,
		uint	setting,
		const string &	library = "all" )

PrototypeLibraries() [1/5]

xstructure aflowlib::PrototypeLibraries	(	ostream &	oss,
		const string &	label,
		const string &	parameters,
		int	mode )

PrototypeLibraries() [2/5]

xstructure aflowlib::PrototypeLibraries	(	ostream &	oss,
		const string &	label,
		const string &	parameters,
		deque< string > &	vatomX,
		int	mode )

PrototypeLibraries() [3/5]

xstructure aflowlib::PrototypeLibraries	(	ostream &	oss,
		const string &	label,
		const string &	parameters,
		deque< string > &	vatomX,
		deque< double > &	vvolumeX,
		double	volume_in,
		int	mode )

PrototypeLibraries() [4/5]

xstructure aflowlib::PrototypeLibraries	(	ostream &	oss,
		string	label,
		string	parameters,
		deque< string > &	vatomX,
		deque< double > &	vvolumeX,
		double	volume_in,
		int	mode,
		bool	flip_option )

PrototypeLibraries() [5/5]

xstructure aflowlib::PrototypeLibraries	(	ostream &	oss,
		_PROTO_PARAMS *	PARAMS )

PrototypesHelp()

string aflowlib::PrototypesHelp

(

)

PrototypesIcsdHelp()

string aflowlib::PrototypesIcsdHelp

(

const string &

options

)

CALCULATED()

string aflowlib::CALCULATED

(

)

CALCULATED_ICSD_RANDOM()

string aflowlib::CALCULATED_ICSD_RANDOM

(

)