Subsections


relax_disp.catia_execute

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Synopsis

Perform a relaxation dispersion optimisation using Flemming Hansen's CATIA.

Defaults

relax_disp.catia_execute(dir=None, binary=`catia')

Keyword arguments

dir: The directory containing all of the CATIA input files.

binary: The name of the executable CATIA program file.

Description

CATIA will be executed as

[numbers=none]
$ catia < Fit.catia

If you would like to use a different CATIA executable file, change the binary name to the appropriate file name. If the file is not located within the environment's path, include the full path in front of the binary file name.


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