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Preliminary support for metapsp
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gmatteo committed Jul 21, 2024
1 parent 973f655 commit 500b511
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1 change: 1 addition & 0 deletions abipy/core/structure.py
Original file line number Diff line number Diff line change
Expand Up @@ -398,6 +398,7 @@ def n_elems(self) -> int:
"""Number of types of atoms."""

return len(self.types_of_species)

def to_ase_atoms(self, calc=None):
"""
Returns ASE Atoms object from structure and attach calculator calc.
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