Skip to content

Test against xpcs-baseline #3

@danielballan

Description

@danielballan

In CI, download the dataset generated by a LAMMPS simulation, run the implementations against it, obtained a measured coefficient of diffusion, and compare it to the known ground truth. We could define some tolerance for passing a test using pytest, or we could just track the accuracy using asv.

Code is at: https://github.com/aryabhatt/xpcs-baseline
Binary artifact is on Globus at: https://daf20b.36fe.dn.glob.us/My Drive/XPCS Sims/xpcs750k.h5

Metadata

Metadata

Assignees

No one assigned

    Labels

    No labels
    No labels

    Type

    No type

    Projects

    No projects

    Milestone

    No milestone

    Relationships

    None yet

    Development

    No branches or pull requests

    Issue actions