Skip to content

👽 Enable ASE atoms conversion from juliacall.#7

Open
Alexsp32 wants to merge 1 commit intomainfrom
juliacall-compat
Open

👽 Enable ASE atoms conversion from juliacall.#7
Alexsp32 wants to merge 1 commit intomainfrom
juliacall-compat

Conversation

@Alexsp32
Copy link
Member

The juliacall Python package converts ase.atoms into PyIterable{Any} types in Julia, for which there currently isn’t a convert_from_ase_atoms method defined.

This PR adds an additional method for this, so NQCDInterfASE can be used to convert structures back and forth between Python and Julia.

Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment

Labels

None yet

Projects

None yet

Development

Successfully merging this pull request may close these issues.

1 participant