Subsections


relax_disp.sherekhan_input

Image relax_disp Image sherekhan

Synopsis

Create the input files for Adam Mazur's ShereKhan program.

Defaults

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

Keyword arguments

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.

dir: The directory name to place ShereKhan cluster folders into.

Description

This creates the files required for the ShereKhan server located at http://sherekhan.bionmr.org/. One file per spin cluster per field strength will be created. These will be placed in the directory `clusterx' and named `sherekhan_frqy.in', where x is the cluster index starting from 1 and y is the magnetic field strength index starting from 1.


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