Project

Detailed Description

Relates to CASM project settings, directory structure, etc.

A CASM project encompasses all the settings, calculations, cluster expansions, Monte Carlo results, etc. related to a single parent crystal structure (known as the 'prim').

All the results and data related to a CASM project are stored in a directory with structure defined by the DirectoryStructure class, and accessible through the top-level data structure PrimClex.

Modules
	ProjectIO
	Relates to CASM project input/output.
	PrimClex
	PrimClex is the top-level data structure for a CASM project.

Classes
struct	CASM::QueryTraits< DataObject >
class	CASM::ProjectBuilder
	Sets up directories and files for a new CASM project. More...
struct	CASM::ClexDescription
	Specifies a particular cluster expansion. More...
class	CASM::ProjectSettings
	Read/modify settings of an already existing CASM project. More...

Functions
bool	CASM::operator< (const ClexDescription &A, const ClexDescription &B)
	Compare using name strings: A.name < B.name. More...
jsonParser &	CASM::to_json (const ClexDescription &desc, jsonParser &json)
void	CASM::from_json (ClexDescription &desc, const jsonParser &json)
bool	CASM::clex_exists (const DirectoryStructure &dir, const ClexDescription &desc)
jsonParser &	CASM::to_json (const ProjectSettings &set, jsonParser &json)
template<typename SublatIterator >
bool	CASM::ProjectSettings::set_nlist_sublat_indices (SublatIterator begin, SublatIterator end)
	Set range of sublattice indices to include in neighbor lists (will delete existing Clexulator source and compiled code) More...

Function Documentation

bool CASM::clex_exists	(	const DirectoryStructure &	dir,
		const ClexDescription &	desc
	)

Definition at line 75 of file ProjectSettings.cc.

void CASM::from_json	(	ClexDescription &	desc,
		const jsonParser &	json
	)

Definition at line 66 of file ProjectSettings.cc.

bool CASM::operator<	(	const ClexDescription &	A,
		const ClexDescription &	B
	)

Compare using name strings: A.name < B.name.

Definition at line 51 of file ProjectSettings.cc.

template<typename SublatIterator >

bool CASM::ProjectSettings::set_nlist_sublat_indices	(	SublatIterator	begin,
		SublatIterator	end
	)

Set range of sublattice indices to include in neighbor lists (will delete existing Clexulator source and compiled code)

Definition at line 395 of file ProjectSettings.hh.

jsonParser & CASM::to_json	(	const ClexDescription &	desc,
		jsonParser &	json
	)

Definition at line 55 of file ProjectSettings.cc.

jsonParser & CASM::to_json	(	const ProjectSettings &	set,
		jsonParser &	json
	)

Definition at line 759 of file ProjectSettings.cc.