SteepestDescent
- class optking.stepAlgorithms.SteepestDescent(molsys, history, params)[source]
Bases:
OptimizationAlgorithm
Steepest descent with step size adjustment
Notes
dq = c * fq
Methods Summary
expected_energy
(step, grad, hess)Quadratic energy model
requires
()Returns tuple with strings ('energy', 'gradient', 'hessian') for what the algorithm needs to compute a new point
step
(fq, *args, **kwargs)Basic form of the algorithm
step_size_scalar
(fq)Perform two point calculation of steepest descent step_size
Methods Documentation