CASM::MonteCarloDirectoryStructure Class Reference

#include <MonteIO.hh>

Detailed Description

Definition at line 11 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, MonteSampler::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

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

inline

Definition at line 15 of file MonteIO.hh.

Member Function Documentation

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

inline

"output_dir/conditions.cond_index/"

Definition at line 35 of file MonteIO.hh.

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

inline

"output_dir/conditions.cond_index/conditions.json"

Definition at line 40 of file MonteIO.hh.

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

inline

"output_dir/conditions.cond_index/final_state.json"

Definition at line 107 of file MonteIO.hh.

fs::path CASM::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 88 of file MonteIO.hh.

fs::path CASM::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 102 of file MonteIO.hh.

fs::path CASM::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 95 of file MonteIO.hh.

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

inline

"output_dir/conditions.cond_index/observations.csv"

Definition at line 45 of file MonteIO.hh.

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

inline

"output_dir/conditions.cond_index/observations.json"

Definition at line 50 of file MonteIO.hh.

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

inline

"output_dir/occupation_key.csv"

Definition at line 112 of file MonteIO.hh.

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

inline

"output_dir/occupation_key.csv"

Definition at line 117 of file MonteIO.hh.

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

inline

"output_dir/"

Definition at line 19 of file MonteIO.hh.

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

inline

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

Definition at line 76 of file MonteIO.hh.

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

inline

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

Definition at line 71 of file MonteIO.hh.

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

inline

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

Definition at line 81 of file MonteIO.hh.

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

inline

Results summary: "output_dir/results.csv".

Definition at line 24 of file MonteIO.hh.

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

inline

Results summary: "output_dir/results.json".

Definition at line 29 of file MonteIO.hh.

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

inline

"output_dir/conditions.cond_index/trajectory.csv"

Definition at line 56 of file MonteIO.hh.

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

inline

"output_dir/conditions.cond_index/trajectory"

Definition at line 66 of file MonteIO.hh.

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

inline

"output_dir/conditions.cond_index/trajectory.json"

Definition at line 61 of file MonteIO.hh.

Member Data Documentation

fs::path CASM::MonteCarloDirectoryStructure::m_output_dir

private

Definition at line 123 of file MonteIO.hh.

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

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