Changed energy file reader to output a DataFrame

This commit is contained in:
Sebastian Kloth 2023-09-16 13:40:02 +02:00
parent 69715fd2a7
commit ec791ece8b

View File

@ -1,6 +1,8 @@
import os
from glob import glob
import pandas as pd
from . import atoms
from . import coordinates
from . import correlation
@ -99,4 +101,4 @@ def open_energy(file):
Args:
file: Filename of the energy file
"""
return reader.energy_reader(file)
return pd.DataFrame(reader.energy_reader(file).data_dict)