BigDFT package

Subpackages

Such subpackage contains scripts that can be used with the code

Module contents

InputActions

Actions to define on the Input parameters.

This module defines some of the most common actions that a BigDFT user might like to perform on the input file. Such module therefore sets some of the keys of the input dictionary to the values needed to perform the operations. Users might also inspire to the actions performed in order to customize the runs in a different way. All the functions of this module have as first argument inp, the dictionary of the input parameters.

Many other actions are available in BigDFT code. This module only regroups the most common. Any of these functionalities might be removed from the input file by the remove() function.

Note

Any of the action of this module, including the remove() function, can be also applied to an instance of the BigDFT.Inputfiles.Inputfile class, by removing the first argument (inp). This adds extra flexibility as the same method may be used to a dictionary instance or to a BigDFT input files. See the example Example.

We now list the available methods, in order of category.

Note

Each of the actions here must have default value for the arguments (except the input dictionary inp). This is needed for a good behaviour of the function remove.

We list here the extended documentation in alphabetic order.