algorithms

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

Links to Full Documentation:

Abstract optimizers that could be used with other force functions.

Classes

BFGSv1([coords, numbers, max_steps, H0, ...])	BFGS algorithm for batch of coordinates, forces will be input to step() function
BFGSv2([coords, numbers, max_steps, H0, ...])	batch BFGS algorithm with Moore-Penrose pseudoinverse
BFGSv3([coords, numbers, max_steps, H0, ...])	BFGS algorithm for batch of coordinates, forces will be input to step() function
FIRE([coords, numbers, max_steps, dt, ...])
GeometryOptimizer(coords[, max_steps, ...])
NewtonRaphson([coords, numbers, max_steps, ...])