access¶

py4vasp.raw.access(quantity, *, selection=None, path=None, file=None)¶

Create access to a particular quantity from the VASP output.

Parameters:

• quantity (str) – Select which particular quantity to access.

• selection (str, optional) – Keyword-only argument to select different sources of the quantity.

• path (str, optional) – Keyword-only argument to set the path from which VASP output is read. Defaults to the current directory.

• file (str, optional) – Keyword-only argument to set the file from which VASP output is read. Defaults are set in the schema.

Returns:

Entering the context manager results in access to the desired quantity. Note that the access terminates at the end of the context to ensure all VASP files are properly closed.

Return type:

ContextManager