Input/Output

This subpackage contains various routines to read in different input files and to process the information. The main goal is to convert the information from the input files to a format that can be used by the Builder class and to save the data in other input formats.

Input/Output Functions

load(infile)

Recreates the instance from a pickled state.

save(object, path[, compress])

Saves the instance from a pickled state.

read_magnopy(file)

This function reads the magnopy input file and return a dictionary

save_magnopy(builder, path[, ...])

Creates a magnopy input file based on a path.

save_UppASD(builder, folder[, magnetic_moment])

Writes the UppASD input files to the given folder.

read_fdf(path)

It reads the simulation parameters, magnetic entities and pairs from the fdf

read_py(path)

Reading input parameters from a .py file.

Utility functions

decipher(tag)

Gets the atom, l and orb from the tag of the magnetic entity.

decipher_all_by_pos(dh, magnetic_entities, pairs)

This function deciphers the magnetic entities and pairs based on coordinates

decipher_all_by_tag(magnetic_entities, pairs)

Creates the magnetic entities and pairs from the tag.

strip_dict_structure(dictionary[, pops, setto])

Sets the values in the pops keys from the whole dictionary structure to the given value.

Examples

For examples, see the various functions.