sysfile

Full name: ase2sprkkr.sprkkr.sysfile

Description

Thys module contain functions to write xband sysfiles.

TODO: Just a-bit-cleaned-up old legacy code. Please, use it with a propper caution.

Functions

sysfile_content(atoms[, filename])	Return the content of the xband sysfile for the given atoms object.
write_sysfile(atoms, filename)