qrunch.chemistry.orbital_optimizers.creator
Module containing builders for orbital optimizers.
Classes
Builder for all types of orbital optimization algorithms. |
- class OrbitalOptimizerCreator
Bases:
objectBuilder for all types of orbital optimization algorithms.
- __init__() None
Initialize builder for the orbital optimizer.
- Return type:
None
- static newton() NewtonOrbitalOptimizerOrbitalOptimizerCreator
Narrow the orbital optimization algorithm to a Newton gradient based orbital optimizer.
- Return type:
- static simple() SimpleOrbitalOptimizerCreator
Narrow the orbital optimization algorithm to a simple orbital optimizer.
- Return type:
- orbital_optimizer_creator() OrbitalOptimizerCreator
Start creating an orbital optimization algorithm creator.
- Return type: