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fix the mypy
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Signed-off-by: Runze Liu <[email protected]>
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rul048 authored Sep 13, 2024
1 parent fbce8d5 commit 72282fe
Showing 1 changed file with 2 additions and 1 deletion.
3 changes: 2 additions & 1 deletion matcalc/phonon3.py
Original file line number Diff line number Diff line change
Expand Up @@ -5,6 +5,7 @@
from dataclasses import dataclass
from typing import TYPE_CHECKING

import numpy as np
from phono3py import Phono3py
from pymatgen.io.phonopy import get_phonopy_structure, get_pmg_structure

Expand Down Expand Up @@ -76,7 +77,7 @@ def calc(self, structure: Structure) -> dict:
(in Watts/meter/Kelvin),
}
"""
temperatures = range(self.t_min, self.t_max + self.t_step, self.t_step)
temperatures = np.arange(self.t_min, self.t_max + self.t_step, self.t_step)

if self.relax_structure:
relaxer = RelaxCalc(
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