input_parameters

Full name: ase2sprkkr.input_parameters

Description

ase2sprkkr.input_parameters - SPR-KKR tasks’ input files definitions.

Modules

ase2sprkkr.input_parameters.definitions

sprkkr.input_parameters.definitions - definitions of InputParameterss: definition of configurtion options and their default values for SPR-KKR input_parameters.

ase2sprkkr.input_parameters.input_parameters

Containers for configuration parameters of SPR-KKR task.

ase2sprkkr.input_parameters.input_parameters_definitions

This file contains the classes for definitions of InputParameterss: the list of sections and their allowed (or standard) options and their value formats.

ase2sprkkr.input_parameters.test