Jason Meziere

Parallelizing function evaluations for the Derivative class

1

Similar to issue #20 , I would be willing to implement parallelizing the function evaluations for the derivative with the multiprocessing module. I have it working in my own implementation,...

Change POLYCRYS Subroutine

2

When using atomsk as a shared library, it would be ideal if the POLYCRYS function didn't need file names and instead took in the associated data. This would make it...

Initial alpha when using InitialPrevious initial guess

1

When using the `InitialPrevious` routine from `LineSearches.jl`, an optional parameter `alpha` can be given. However, when running the routine, this `alpha` is only used if `state.alpha` is `NaN`. Since the...