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change list to tuple
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PROA200 committed Nov 20, 2023
1 parent 6584a37 commit 3dfaf79
Showing 1 changed file with 2 additions and 2 deletions.
4 changes: 2 additions & 2 deletions matcalc/eos.py
Original file line number Diff line number Diff line change
Expand Up @@ -57,8 +57,8 @@ def calc(self, structure: Structure) -> dict:
Returns: {
eos: {
volumes: list[float] in Angstrom^3,
energies: list[float] in eV,
volumes: tuple[float] in Angstrom^3,
energies: tuple[float] in eV,
},
bulk_modulus_bm: Birch-Murnaghan bulk modulus in GPa.
r2_score_bm: R squared of Birch-Murnaghan fit of energies predicted by model to help detect erroneous
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