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fix pydocstyle
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JaGeo committed Aug 26, 2021
1 parent cc9838e commit 40dbccd
Showing 1 changed file with 7 additions and 2 deletions.
9 changes: 7 additions & 2 deletions pymatgen/io/lobster/outputs.py
Expand Up @@ -331,7 +331,7 @@ def __init__(self, are_coops: bool = False, are_cobis: bool = False, filename: s

# check if orbitalwise ICOHPLIST
# include case when there is only one ICOHP!!!
if len(data)>2 and "_" in (data[2].split()[1]):
if len(data) > 2 and "_" in (data[2].split()[1]):
self.orbitalwise = True
warnings.warn("This is an orbitalwise IC**LIST.lobter. Currently, the orbitalwise information is not read!")
else:
Expand Down Expand Up @@ -1675,6 +1675,12 @@ class MadelungEnergies:
"""

def __init__(self, filename: str = "MadelungEnergies.lobster"):
"""
Args:
filename: filename of the "MadelungEnergies.lobster" file
"""

with zopen(filename, "rt") as f:
data = f.read().split("\n")[5]
if len(data) == 0:
Expand All @@ -1685,7 +1691,6 @@ def __init__(self, filename: str = "MadelungEnergies.lobster"):
self.madelungenergies_Loewdin = float(line[2])



class SitePotential:
"""
Class to read SitePotentials.lobster files generated by LOBSTER
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