autoplex.settings

Settings for autoplex.

Classes

AutoplexBaseModel	Base class for all models in autoplex.
BcurParams	A model describing the parameters for the BCUR method.
BuildcellOptions	A model describing the parameters for buildcell.
CustomIncar	A model describing the INCAR parameters.
GAPGeneralSettings	Model describing general hyperparameters for the GAP fits.
GAPSettings	Model describing the hyperparameters for the GAP fits for Phonons.
JACESettings	Model describing the hyperparameters for the J-ACE fits.
LossCoeff	Model describing different weights to use in a weighted loss functions.
M3GNETSettings	Model describing the hyperparameters for the M3GNET fits.
MACESettings	Model describing the hyperparameters for the MACE fits.
MLIPHypers	Model containing the hyperparameter defaults for supported MLIPs in autoplex.
NEPSettings	Model describing the hyperparameters for the NEP fits.
NEQUIPSettings	Model describing the hyperparameters for the NEQUIP fits.
Nonlinearity	Model describing the nonlinearity to be used for the NEQUIP fits.
ResumeFromPreviousState	A model describing the state information.
RssConfig	A model describing the complete RSS configuration.
SoapParas	A model describing the SOAP parameters.
SoapSettings	Model describing soap hyperparameters for the GAP fits.
ThreebSettings	Model describing threebody hyperparameters for the GAP fits.
TwobSettings	Model describing two body hyperparameters for the GAP fits.