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chore: add link to pmg
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VsevolodX committed Dec 25, 2024
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1 change: 1 addition & 0 deletions src/py/mat3ra/made/tools/build/slab/builders.py
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Expand Up @@ -19,6 +19,7 @@ class SlabSelectorParameters(BaseModel):


class PymatgenSlabGeneratorParameters(BaseModel):
# Parameters described in https://github.com/materialsproject/pymatgen/blob/585bb673c4aa222669c4b0d72ffeec3dbf092630/pymatgen/core/surface.py#L1187
min_vacuum_size: int = 1
in_unit_planes: bool = True
reorient_lattice: bool = True
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