Skip to content

Update deformation gradient logic #503

@CompRhys

Description

@CompRhys

Initially we focussed on matching the Frechet filter in ASE. That implementation fixes the reference cell as the initial cell. This can lead to blowup of optimization if the cells change too much.

Look at alternatives such as trust regions

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