Module MMTK.Minimization


Class SteepestDescentMinimizer: Steepest-descent minimizer

The minimizer can handle fixed atoms, but no distance constraints. It is fully thread-safe.

Constructor: SteepestDescentMinimizer(universe, **options)

universe

the universe on which the minimizer acts

options

keyword options:

The minimization is started by calling the minimizer object. All the keyword options listed above can be specified either when creating the minimizer or when calling it.

The following data categories and variables are available for output:


Class ConjugateGradientMinimizer: Conjugate gradient minimizer

The minimizer can handle fixed atoms, but no distance constraints. It is fully thread-safe.

Constructor: ConjugateGradientMinimizer(universe, **options)

universe

the universe on which the minimizer acts

options

keyword options:

The minimization is started by calling the minimizer object. All the keyword options listed above can be specified either when creating the minimizer or when calling it.

The following data categories and variables are available for output: