viperleed.calc.files.poscar

Functions for reading and writing POSCAR files.

Also defines the POSCARError specific exception, as well as some subclasses.

Functions

read([filename])	Return a Slab with the contents of a POSCAR file.
write(slab[, filename, comments, silent])	Write a POSCAR-style file from a slab.

Classes

POSCARFileReader(filename, *[, ucell_eps])	A context manager for reading POSCAR files into a slab.
POSCARFileWriter(filename, *[, comments])	A context manager for writing a slab to POSCAR.
POSCARReader(source, *[, ucell_eps])	Base class for reading POSCAR structures into a Slab.
POSCARStreamReader(source, *[, ucell_eps])	Class for reading a POSCAR structure from an open stream.
POSCARStreamWriter(target, *[, comments])	Class for writing a Slab to an open stream in POSCAR format.
POSCARWriter(target, *[, comments])	Base class for writing a Slab to POSCAR format.
VASPPOSCARWriter(stream, *[, comments, ...])	Class for writing a Slab to a POSCAR, ready for VASP relaxation.

Exceptions

POSCARError	A generic exception related to a POSCAR file.
POSCARSyntaxError	An exceptions for syntax errors in POSCAR files.