vaspparser.vasp.output

vaspparser.vasp.output#

Functions

get_final_structure_from_file(working_directory)

Read the final structure from a POSCAR-format file (typically CONTCAR).

parse_vasp_output(working_directory[, ...])

Parse the VASP output in the working_directory and return it as a hierarchical dictionary.

Classes

GenericOutput()

This class stores the generic output like different structures, energies and forces from a simulation in a highly generic format.

Output()

Handles the output from a VASP simulation.

Exceptions

VaspCollectError

Raised when VASP output files are present but cannot be parsed correctly.