#include <MonteIO.hh>

Detailed Description

Definition at line 24 of file MonteIO.hh.

Public Member Functions
	MonteCarloDirectoryStructure (fs::path output_dir)

fs::path	output_dir () const
	"output_dir/" More...

fs::path	results_csv () const
	Results summary: "output_dir/results.csv". More...

fs::path	results_json () const
	Results summary: "output_dir/results.json". More...

fs::path	conditions_dir (int cond_index) const
	"output_dir/conditions.cond_index/" More...

fs::path	conditions_json (int cond_index) const
	"output_dir/conditions.cond_index/conditions.json" More...

fs::path	observations_csv (int cond_index) const
	"output_dir/conditions.cond_index/observations.csv" More...

fs::path	observations_json (int cond_index) const
	"output_dir/conditions.cond_index/observations.json" More...

fs::path	trajectory_csv (int cond_index) const
	"output_dir/conditions.cond_index/trajectory.csv" More...

fs::path	trajectory_json (int cond_index) const
	"output_dir/conditions.cond_index/trajectory.json" More...

fs::path	trajectory_dir (int cond_index) const
	"output_dir/conditions.cond_index/trajectory" More...

fs::path	POSCAR_initial (int cond_index)
	"output_dir/conditions.cond_index/trajectory/POSCAR.initial" More...

fs::path	POSCAR_final (int cond_index)
	"output_dir/conditions.cond_index/trajectory/POSCAR.final" More...

fs::path	POSCAR_snapshot (int cond_index, size_type sample_index)
	"output_dir/conditions.cond_index/trajectory/POSCAR.sample" More...

fs::path	initial_state_firstruneq_json (int cond_index) const
	"output_dir/conditions.cond_index/initial_state_firstruneq.json" More...

fs::path	initial_state_runeq_json (int cond_index) const
	"output_dir/conditions.cond_index/final_state.json" More...

fs::path	initial_state_json (int cond_index) const
	"output_dir/conditions.cond_index/initial_state.json" More...

fs::path	final_state_json (int cond_index) const
	"output_dir/conditions.cond_index/final_state.json" More...

fs::path	occupation_key_csv () const
	"output_dir/occupation_key.csv" More...

fs::path	occupation_key_json () const
	"output_dir/occupation_key.csv" More...

Private Attributes
fs::path	m_output_dir

Constructor & Destructor Documentation

◆ MonteCarloDirectoryStructure()

CASM::Monte::MonteCarloDirectoryStructure::MonteCarloDirectoryStructure ( fs::path output_dir )

Definition at line 27 of file MonteIO.cc.

Member Function Documentation

◆ conditions_dir()

fs::path CASM::Monte::MonteCarloDirectoryStructure::conditions_dir ( int cond_index ) const

inline

"output_dir/conditions.cond_index/"

Definition at line 38 of file MonteIO.hh.

◆ conditions_json()

fs::path CASM::Monte::MonteCarloDirectoryStructure::conditions_json ( int cond_index ) const

inline

"output_dir/conditions.cond_index/conditions.json"

Definition at line 44 of file MonteIO.hh.

◆ final_state_json()

fs::path CASM::Monte::MonteCarloDirectoryStructure::final_state_json ( int cond_index ) const

inline

"output_dir/conditions.cond_index/final_state.json"

Definition at line 111 of file MonteIO.hh.

◆ initial_state_firstruneq_json()

fs::path CASM::Monte::MonteCarloDirectoryStructure::initial_state_firstruneq_json ( int cond_index ) const

inline

"output_dir/conditions.cond_index/initial_state_firstruneq.json"

Initial state before 'first run equilibration'

Definition at line 92 of file MonteIO.hh.

◆ initial_state_json()

fs::path CASM::Monte::MonteCarloDirectoryStructure::initial_state_json ( int cond_index ) const

inline

"output_dir/conditions.cond_index/initial_state.json"

Initial state before first pass / step

Definition at line 106 of file MonteIO.hh.

◆ initial_state_runeq_json()

fs::path CASM::Monte::MonteCarloDirectoryStructure::initial_state_runeq_json ( int cond_index ) const

inline

"output_dir/conditions.cond_index/final_state.json"

Initial state before 'each run equilibration'

Definition at line 99 of file MonteIO.hh.

◆ observations_csv()

fs::path CASM::Monte::MonteCarloDirectoryStructure::observations_csv ( int cond_index ) const

inline

"output_dir/conditions.cond_index/observations.csv"

Definition at line 49 of file MonteIO.hh.

◆ observations_json()

fs::path CASM::Monte::MonteCarloDirectoryStructure::observations_json ( int cond_index ) const

inline

"output_dir/conditions.cond_index/observations.json"

Definition at line 54 of file MonteIO.hh.

◆ occupation_key_csv()

fs::path CASM::Monte::MonteCarloDirectoryStructure::occupation_key_csv ( ) const

inline

"output_dir/occupation_key.csv"

Definition at line 116 of file MonteIO.hh.

◆ occupation_key_json()

fs::path CASM::Monte::MonteCarloDirectoryStructure::occupation_key_json ( ) const

inline

"output_dir/occupation_key.csv"

Definition at line 121 of file MonteIO.hh.

◆ output_dir()

fs::path CASM::Monte::MonteCarloDirectoryStructure::output_dir ( ) const

inline

"output_dir/"

Definition at line 29 of file MonteIO.hh.

◆ POSCAR_final()

fs::path CASM::Monte::MonteCarloDirectoryStructure::POSCAR_final ( int cond_index )

inline

"output_dir/conditions.cond_index/trajectory/POSCAR.final"

Definition at line 79 of file MonteIO.hh.

◆ POSCAR_initial()

fs::path CASM::Monte::MonteCarloDirectoryStructure::POSCAR_initial ( int cond_index )

inline

"output_dir/conditions.cond_index/trajectory/POSCAR.initial"

Definition at line 74 of file MonteIO.hh.

◆ POSCAR_snapshot()

fs::path CASM::Monte::MonteCarloDirectoryStructure::POSCAR_snapshot	(	int	cond_index,
		size_type	sample_index
	)

inline

"output_dir/conditions.cond_index/trajectory/POSCAR.sample"

Definition at line 84 of file MonteIO.hh.

◆ results_csv()

fs::path CASM::Monte::MonteCarloDirectoryStructure::results_csv ( ) const

inline

Results summary: "output_dir/results.csv".

Definition at line 32 of file MonteIO.hh.

◆ results_json()

fs::path CASM::Monte::MonteCarloDirectoryStructure::results_json ( ) const

inline

Results summary: "output_dir/results.json".

Definition at line 35 of file MonteIO.hh.

◆ trajectory_csv()

fs::path CASM::Monte::MonteCarloDirectoryStructure::trajectory_csv ( int cond_index ) const

inline

"output_dir/conditions.cond_index/trajectory.csv"

Definition at line 59 of file MonteIO.hh.

◆ trajectory_dir()

fs::path CASM::Monte::MonteCarloDirectoryStructure::trajectory_dir ( int cond_index ) const

inline

"output_dir/conditions.cond_index/trajectory"

Definition at line 69 of file MonteIO.hh.

◆ trajectory_json()

fs::path CASM::Monte::MonteCarloDirectoryStructure::trajectory_json ( int cond_index ) const

inline

"output_dir/conditions.cond_index/trajectory.json"

Definition at line 64 of file MonteIO.hh.

Member Data Documentation

◆ m_output_dir

fs::path CASM::Monte::MonteCarloDirectoryStructure::m_output_dir

private

Definition at line 126 of file MonteIO.hh.

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

/Users/bpuchala/Work/codes/CASMcode_v0.2.X_reference/include/casm/monte_carlo/MonteIO.hh
/Users/bpuchala/Work/codes/CASMcode_v0.2.X_reference/src/casm/monte_carlo/MonteIO.cc

Detailed Description

Public Member Functions

Private Attributes

Constructor & Destructor Documentation

◆ MonteCarloDirectoryStructure()

Member Function Documentation

◆ conditions_dir()

◆ conditions_json()

◆ final_state_json()

◆ initial_state_firstruneq_json()

◆ initial_state_json()

◆ initial_state_runeq_json()

◆ observations_csv()

◆ observations_json()

◆ occupation_key_csv()

◆ occupation_key_json()

◆ output_dir()

◆ POSCAR_final()

◆ POSCAR_initial()

◆ POSCAR_snapshot()

◆ results_csv()

◆ results_json()

◆ trajectory_csv()

◆ trajectory_dir()

◆ trajectory_json()

Member Data Documentation

◆ m_output_dir