optimizer

This is summary documentation for hippynn.optimizer module. Click here for full documentation.

API Summary for sub-modules:

• algorithms
• batch_optimizer
• utils

Links to Full Documentation:

Functionality for Batch geometry optimization of configurations under a potential energy surface..

This module is only available if the ase package is installed.

Contributed by Shuhao Zhang (CMU, LANL)

Modules

algorithms	Abstract optimizers that could be used with other force functions.
batch_optimizer
utils	Internal utilities for batch optimizers