ipyvasp.core.parser

Functions

export_locpot([path, data_set])	Returns Data from LOCPOT and similar structure files like CHG/PARCHG etc.
export_outcar([path])	Read potential at ionic sites from OUTCAR file.
gen2numpy(gen, shape, slices[, raw, dtype, ...])	Convert a generator of text lines to numpy array while excluding comments, given matches and empty lines.
minify_vasprun(path)	Minify vasprun.xml file by removing projected data.
read(file, start_match[, stop_match, ...])	Reads a part of the file between start_match and stop_match and returns a generator.
xml2dict(xmlnode_or_filepath)	Convert xml node or xml file content to dictionary.

Classes

DataSource(path[, skipk])	Base class for all data sources.
Vaspout(path[, skipk])	Read data from vaspout.h5 file on demand.
Vasprun([path, skipk])	Reads vasprun.xml file lazily.