Skip to content

Reorientation settings are in lattice but make more sense in unitcell settings #104

@drjbarker

Description

@drjbarker

We can reorient the system using settings like:

lattice : {
  orientation_axis = [0.0, 0.0, 1.0];
  orientation_lattice_vector = [1.0, 1.0, 1.0];
}

but it is not very easy to then split the unit cell into a separate config because for example the exchange interactions must be calculated after the rotation so they rely on the lattice settings as well as unitcell when really they only need to depend on the unitcell.

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