Index

_

__init__() (dfttopif.parsers.base.DFTParser method)

A

AbinitParser (class in dfttopif.parsers.abinit)

archive_to_pif() (in module dfttopif)

C

convert_from_tarfile() (in module dfttopif.web)

D

DFTParser (class in dfttopif.parsers.base) dfttopif (module) dfttopif.parsers (module) dfttopif.parsers.abinit (module) dfttopif.parsers.base (module)

dfttopif.parsers.pwscf (module) dfttopif.parsers.vasp (module) dfttopif.web (module) directory_to_pif() (in module dfttopif)

G

get_band_gap() (dfttopif.parsers.base.DFTParser method) (dfttopif.parsers.pwscf.PwscfParser method) (dfttopif.parsers.vasp.VaspParser method) get_composition() (dfttopif.parsers.base.DFTParser method) get_cutoff_energy() (dfttopif.parsers.abinit.AbinitParser method) (dfttopif.parsers.base.DFTParser method) (dfttopif.parsers.pwscf.PwscfParser method) (dfttopif.parsers.vasp.VaspParser method) get_dos() (dfttopif.parsers.base.DFTParser method) (dfttopif.parsers.pwscf.PwscfParser method) (dfttopif.parsers.vasp.VaspParser method) get_forces() (dfttopif.parsers.pwscf.PwscfParser method) (dfttopif.parsers.vasp.VaspParser method) get_incar() (dfttopif.parsers.pwscf.PwscfParser method) (dfttopif.parsers.vasp.VaspParser method) get_KPPRA() (dfttopif.parsers.base.DFTParser method) (dfttopif.parsers.pwscf.PwscfParser method) (dfttopif.parsers.vasp.VaspParser method) get_name() (dfttopif.parsers.abinit.AbinitParser method) (dfttopif.parsers.base.DFTParser method) (dfttopif.parsers.pwscf.PwscfParser method) (dfttopif.parsers.vasp.VaspParser method) get_outcar() (dfttopif.parsers.pwscf.PwscfParser method) (dfttopif.parsers.vasp.VaspParser method) get_output_structure() (dfttopif.parsers.base.DFTParser method) (dfttopif.parsers.pwscf.PwscfParser method) (dfttopif.parsers.vasp.VaspParser method) get_poscar() (dfttopif.parsers.pwscf.PwscfParser method) (dfttopif.parsers.vasp.VaspParser method)

get_positions() (dfttopif.parsers.base.DFTParser method) get_pp_name() (dfttopif.parsers.base.DFTParser method) (dfttopif.parsers.pwscf.PwscfParser method) (dfttopif.parsers.vasp.VaspParser method) get_pressure() (dfttopif.parsers.base.DFTParser method) (dfttopif.parsers.pwscf.PwscfParser method) (dfttopif.parsers.vasp.VaspParser method) get_result_functions() (dfttopif.parsers.base.DFTParser method) get_setting_functions() (dfttopif.parsers.base.DFTParser method) get_stresses() (dfttopif.parsers.base.DFTParser method) (dfttopif.parsers.pwscf.PwscfParser method) (dfttopif.parsers.vasp.VaspParser method) get_total_energy() (dfttopif.parsers.base.DFTParser method) (dfttopif.parsers.pwscf.PwscfParser method) (dfttopif.parsers.vasp.VaspParser method) get_U_settings() (dfttopif.parsers.base.DFTParser method) (dfttopif.parsers.pwscf.PwscfParser method) (dfttopif.parsers.vasp.VaspParser method) get_vdW_settings() (dfttopif.parsers.base.DFTParser method) (dfttopif.parsers.pwscf.PwscfParser method) (dfttopif.parsers.vasp.VaspParser method) get_version_number() (dfttopif.parsers.base.DFTParser method) (dfttopif.parsers.pwscf.PwscfParser method) (dfttopif.parsers.vasp.VaspParser method) get_xc_functional() (dfttopif.parsers.base.DFTParser method) (dfttopif.parsers.pwscf.PwscfParser method) (dfttopif.parsers.vasp.VaspParser method)

I

is_converged() (dfttopif.parsers.base.DFTParser method)

is_relaxed() (dfttopif.parsers.base.DFTParser method) (dfttopif.parsers.pwscf.PwscfParser method) (dfttopif.parsers.vasp.VaspParser method)

P

PwscfParser (class in dfttopif.parsers.pwscf)

T

tarfile_to_pif() (in module dfttopif)

test_if_from() (dfttopif.parsers.abinit.AbinitParser method) (dfttopif.parsers.base.DFTParser class method) (dfttopif.parsers.pwscf.PwscfParser method) (dfttopif.parsers.vasp.VaspParser method)

U

uses_SOC() (dfttopif.parsers.base.DFTParser method) (dfttopif.parsers.pwscf.PwscfParser method) (dfttopif.parsers.vasp.VaspParser method)

V

Value_if_true() (in module dfttopif.parsers.base)

VaspParser (class in dfttopif.parsers.vasp)