Image relax_disp Image nessy


Create the input files for Michael Bieri's NESSY program.


relax_disp.nessy_input(dir=None, force=False, spin_id=None)

Keyword arguments

dir: The directory to place the file and to use as the NESSY project directory. If not given, this defaults to the current directory.

force: A flag which if set to True will cause the files to be overwritten if they already exist.

spin_id: The spin identification string.


This will create a single NESSY save file called `save.NESSY'. This will contain all of the dispersion data currently loaded in the relax data store. If the directory name is not supplied, this will default to the current directory.

The relax user manual (PDF), created 2016-10-28.