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Index

_

__version__ (in module aiida_ase) _default_parser (aiida_ase.calculations.ase.AseCalculation attribute) _input_aseatoms (aiida_ase.calculations.ase.AseCalculation attribute) _INPUT_FILE_NAME (aiida_ase.calculations.ase.AseCalculation attribute)

_OPTIMIZER_FILE_NAME (aiida_ase.calculations.ase.AseCalculation attribute) _output_aseatoms (aiida_ase.calculations.ase.AseCalculation attribute) _OUTPUT_FILE_NAME (aiida_ase.calculations.ase.AseCalculation attribute) _TXT_OUTPUT_FILE_NAME (aiida_ase.calculations.ase.AseCalculation attribute)

A

aiida_ase module aiida_ase.calculations module aiida_ase.calculations.ase module aiida_ase.parsers module

aiida_ase.parsers.ase module ArrayData (in module aiida_ase.parsers.ase) AseCalculation (class in aiida_ase.calculations.ase) (in module aiida_ase.parsers.ase) AseParser (class in aiida_ase.parsers.ase)

C

convert_the_args() (in module aiida_ase.calculations.ase)

convert_the_getters() (in module aiida_ase.calculations.ase)

D

define() (aiida_ase.calculations.ase.AseCalculation class method)

Dict (in module aiida_ase.calculations.ase) (in module aiida_ase.parsers.ase)

G

get_calculator_impstr() (in module aiida_ase.calculations.ase)

get_optimizer_impstr() (in module aiida_ase.calculations.ase)

K

KpointsData (in module aiida_ase.calculations.ase)

M

module aiida_ase aiida_ase.calculations aiida_ase.calculations.ase aiida_ase.parsers aiida_ase.parsers.ase

P

parse() (aiida_ase.parsers.ase.AseParser method)

prepare_for_submission() (aiida_ase.calculations.ase.AseCalculation method)

S

StructureData (in module aiida_ase.calculations.ase) (in module aiida_ase.parsers.ase)