Dispersion script mode - initialisation of the data pipe

The data pipe is created using the lines:

# Create the data pipe.
pipe_name = 'base pipe'
pipe_bundle = 'relax_disp'
pipe.create(pipe_name=pipe_name, bundle=pipe_bundle, pipe_type='relax_disp')

The first two lines define variables for the data pipe name and the pipe bundle name. The pipe bundle is used to group together all of the data pipes created by the automated protocol. See section 4.2.1 on page [*] for more details.

The pipe.create user function will then create a relaxation dispersion specific data pipe labelled with the pipe and bundle names. The third argument sets the pipe type to that of relaxation dispersion. The rest of the script is used to fill this base data pipe with all of the data required for a dispersion analysis. The auto-analysis will then copy the data from this pipe as it sees fit.

The relax user manual (PDF), created 2024-06-08.