Features

ASEOptFeature(get_optimizer[, n_run, fmax, …])

The matlantis-feature that wraps around an ASE Optimizer object.

BFGSASEOptFeature([n_run, fmax, …])

The matlantis-feature that uses the ASE implementation of the BFGS algorithm.

BFGSLineSearchASEOptFeature([n_run, fmax, …])

The matlantis-feature that uses the ASE implementation of the BFGS line search algorithm.

FireASEOptFeature([n_run, fmax, …])

The matlantis-feature that uses the Fast Inertial Relaxation Engine (FIRE), as implemented within ASE.

FireLBFGSASEOptFeature([n_run, fmax, …])

The matlantis-feature that combines FIRE and LBFGS optimization algorithms.

LBFGSASEOptFeature([n_run, fmax, …])

The matlantis-feature that uses the ASE implementation of the LBFGS algorithm.

LBFGSLineSearchASEOptFeature([n_run, fmax, …])

The matlantis-feature that uses the ASE implementation of the BFGS line search algorithm.

MDMinASEOptFeature([n_run, fmax, …])

The matlantis-feature that uses the ASE implementation of the MDMin algorithm.

FeatureResults

OptFeatureResult(feature, call_params, …)

Class with the results for various optimizer features.

Classes

OptFeatureBase()

Template base class for optimizer features.

OptFeatureOutput(atoms, converged, steps, …)

Class containing the outputs for results of various optimizer features.