pyiron_atomistics.vasp.metadyn.MetadynOutput

pyiron_atomistics.vasp.metadyn.MetadynOutput#

class pyiron_atomistics.vasp.metadyn.MetadynOutput[source]#

Bases: Output

__init__()[source]#

Methods

__init__()

collect([directory, sorted_indices])

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

Attributes

structure

Getter for the output structure
collect(directory='/home/docs/checkouts/readthedocs.org/user_builds/pyiron-atomistics/checkouts/latest/docs', sorted_indices=None)[source]#

Collects output from the working directory

Parameters:

  • directory (str) – Path to the directory

  • sorted_indices (np.array/None)

from_hdf(hdf)#

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

Parameters:

hdf (pyiron_base.generic.hdfio.ProjectHDFio) – HDF path to which the object is to be saved