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

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

info()

Print configuration and performance information.

property threads

Number of threads used in FFT calculations.

property use_gpu

Whether to use Torch on the GPU if available.

property use_pylibxc

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

property use_torch

Whether to use Torch or SciPy if Torch is installed.

property verbose

Logger verbosity level.