Skip to content

[Feature Request] implement to_labeled_system and to_multi_systems for QuipGapXYZFormat #887

@njzjz

Description

@njzjz

Summary

Currently, QuipGapXYZFormat only supports from_multi_systems.

@Format.register("quip/gap/xyz")
@Format.register("quip/gap/xyz_file")
class QuipGapXYZFormat(Format):
def from_labeled_system(self, data, **kwargs):
return data
def from_multi_systems(self, file_name, **kwargs):
# here directory is the file_name
return QuipGapxyzSystems(file_name)

Implement to_labeled_system and to_multi_systems for QuipGapXYZFormat.

Detailed Description

to_multi_systems: may dump all systems in one file.

Further Information, Files, and Links

No response

Metadata

Metadata

Assignees

Labels

enhancementNew feature or request

Type

No type

Projects

No projects

Milestone

No milestone

Relationships

None yet

Development

No branches or pull requests

Issue actions