feature/SOF-7425 feat: add displacement for film/substrate #156
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| @@ -462,3 +464,39 @@ def rotate_material(material: Material, axis: List[int], angle: float) -> Materi | |||
| atoms.wrap() | |||
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| return Material(from_ase(atoms)) | |||
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| def displace_interface( | |||
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displace_interface_component(interface, displacement, component_name=InterfacePartsEnum.FILM, use_cartesian_coordinates=True)
Should use displacement in angstroms by default
tests/py/unit/fixtures.py
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| @@ -61,6 +61,180 @@ | |||
| INTERFACE_STRUCTURE.interface_properties = INTERFACE_PROPERTIES_MOCK | |||
| INTERFACE_NAME = "Cu4(001)-Si8(001), Interface, Strain 0.062pct" | |||
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| GRAPHENE_NICKEL_INTERFACE = { | |||
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Let's create an interface through a function here and only check what we need
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Ok. We decided to revert back to JSON due to erroneous interface creation during pytest
timurbazhirov
approved these changes
Sep 11, 2024
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