Changed energy file reader to output a DataFrame
This commit is contained in:
parent
69715fd2a7
commit
ec791ece8b
@ -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)
|
||||
|
Loading…
Reference in New Issue
Block a user