emmet.core.vasp.utils

Define utilities needed for parsing VASP calculations.

Functions

discover_and_sort_vasp_files	Find and sort VASP files from a directory for TaskDoc.
discover_vasp_files	Scan a target directory and identify VASP files.
recursive_discover_vasp_files	Recursively scan a target directory and identify VASP files.

Classes

CalculationLocator	Object to represent calculation directory with possible file suffixes.
FileMetadata	Lightweight model to enable validation on files via MD5.
REQUIRED_VASP_FILES	set() -> new empty set object set(iterable) -> new set object
TASK_NAMES	set() -> new empty set object set(iterable) -> new set object
TYPE_CHECKING	bool(x) -> bool
VASP_ELECTRONIC_STRUCTURE	Built-in mutable sequence.
VASP_INPUT_FILES	Built-in mutable sequence.
VASP_OUTPUT_FILES	Built-in mutable sequence.
VASP_RAW_DATA_ORG	dict() -> new empty dictionary dict(mapping) -> new dictionary initialized from a mapping object's (key, value) pairs dict(iterable) -> new dictionary initialized as if via: d = {} for k, v in iterable: d[k] = v dict(**kwargs) -> new dictionary initialized with the name=value pairs in the keyword argument list. For example: dict(one=1, two=2).
VASP_VOLUMETRIC_FILES	Built-in mutable sequence.
v	Built-in mutable sequence.