pyiron_atomistics.vasp.output.Output

pyiron_atomistics.vasp.output.Output#

class pyiron_atomistics.vasp.output.Output[source]#

Bases: Output

__init__()[source]#

Methods

__init__()

collect([directory, sorted_indices, es_class])

Collects output from the working directory

from_hdf(hdf)

Reads the attributes and reconstructs the object from a hdf file :param hdf: The hdf5 instance

to_dict()

to_hdf(hdf)

Save the object in a HDF5 file :param hdf: HDF path to which the object is to be saved :type hdf: pyiron_base.generic.hdfio.ProjectHDFio

Attributes

structure

Getter for the output structure
collect(directory: str = '/home/docs/checkouts/readthedocs.org/user_builds/pyiron-atomistics/checkouts/latest/docs', sorted_indices: ~numpy.ndarray | None = None, es_class=<class 'vaspparser.dft.waves.electronic.ElectronicStructure'>)[source]#

Collects output from the working directory

Parameters:

  • directory (str) – Path to the directory

  • sorted_indices (np.array/None)

from_hdf(hdf)[source]#

Reads the attributes and reconstructs the object from a hdf file :param hdf: The hdf5 instance

property structure#

Getter for the output structure

to_hdf(hdf)[source]#

Save the object in a HDF5 file :param hdf: HDF path to which the object is to be saved :type hdf: pyiron_base.generic.hdfio.ProjectHDFio