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Clean up
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stkroe committed Sep 2, 2024
1 parent fd14fae commit 8bcf757
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Showing 2 changed files with 3 additions and 3 deletions.
1 change: 0 additions & 1 deletion PQAnalysis/analysis/thermal_expansion/api.py
Original file line number Diff line number Diff line change
Expand Up @@ -9,7 +9,6 @@
from PQAnalysis.traj import MDEngineFormat
from PQAnalysis.type_checking import runtime_type_checking
from PQAnalysis.io.formats import FileWritingMode
from PQAnalysis.types import Np1DNumberArray, Np2DNumberArray

from .thermal_expansion import ThermalExpansion
from .thermal_expansion_input_file_reader import ThermalExpansionInputFileReader
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Expand Up @@ -70,9 +70,10 @@ def write(

thermal_expansion_data_mega = thermal_expansion_data * 1e6
super().open()
angstrom = u'\u212b'
angstrom = '\u212b'
powert2three = '\u00b3'
print(

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f"# K {angstrom} {angstrom} {angstrom} {angstrom}³ 1/M 1/M 1/M 1/M",
f"# K {angstrom} {angstrom} {angstrom} {angstrom}{powert2three} 1/M 1/M 1/M 1/M",
file=self.file
)
print(

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