Skip to content

Precision specification when writing to extxyz #22

@ElliottKasoar

Description

@ElliottKasoar

We have an issue with inconsistent hashes of ase.Atoms positions before and after writing to extxyz, which I believe is caused by truncating high precision floats.

Can the specification define what precision can be expected and how this can be enforced?

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