OUTCAR (cusp.outcar)

Data types of class VaspOutcarData are used to store the data contained in the VASP calculation output files of type OUTCAR. As those files may grow large a gzip-compressed copy of the file is stored to the AiiDA repository instead of the plain file. In order to simplify the access to the file’s contents several methods are implemented by the class to access the stored file contents are implemented.

Implemented Methods and Attributes

VaspOutcarData.get_outcar()

Return a pymatgen.io.vasp.outputs.Outcar instance initialized from the OUTCAR data stored by the node

Returns:Outcar instance initialized from the node’s stored OUTCAR data Return type:Outcar

VaspOutcarData.get_content(decompress=True)

Load the node and return either the archive (i.e. compressed) or the file (i.e. the decompressed) contents stored in the node.

Parameters:decompress (bool) – Indicate wether comressed or uncompressed contents are returned

VaspOutcarData.write_file(filepath, decompress=True)

Write the node’s contents to a file

Params filepath:  path to the output file to which the stored contents will be written Params decompress:  write the decompressed or the archive contents to the file

VaspOutcarData.filepath

Return the path of the object in the repository.

Basically replicates the procedure in the internal open method without the final call to the open()