5.5.1. config.ConfigClass

class eminus.config.ConfigClass

Configuration class holding user specifiable variables.

An instance of this class will be set as the same name as this module. This will effectively make this module a singleton data class.

Methods

info()

Print configuration and performance information.

Attributes

backend	Whether to use SciPy or a different backend if installed.
threads	Number of threads used in FFT calculations.
use_gpu	Whether to use the GPU if available.
use_pylibxc	Whether to use pylibxc or PySCF for functionals if both are installed.
verbose	Logger verbosity level.

info()

Print configuration and performance information.

property backend

Whether to use SciPy or a different backend if installed.

property threads

Number of threads used in FFT calculations.

property use_gpu

Whether to use the GPU if available.

property use_pylibxc

Whether to use pylibxc or PySCF for functionals if both are installed.

property verbose

Logger verbosity level.