Compare commits
2 Commits
9fec40521e
...
b17aa6b199
Author | SHA1 | Date | |
---|---|---|---|
b17aa6b199 | |||
ec791ece8b |
@ -1,6 +1,8 @@
|
|||||||
import os
|
import os
|
||||||
from glob import glob
|
from glob import glob
|
||||||
|
|
||||||
|
import pandas as pd
|
||||||
|
|
||||||
from . import atoms
|
from . import atoms
|
||||||
from . import coordinates
|
from . import coordinates
|
||||||
from . import correlation
|
from . import correlation
|
||||||
@ -97,4 +99,4 @@ def open_energy(file):
|
|||||||
Args:
|
Args:
|
||||||
file: Filename of the energy file
|
file: Filename of the energy file
|
||||||
"""
|
"""
|
||||||
return reader.energy_reader(file)
|
return pd.DataFrame(reader.energy_reader(file).data_dict)
|
||||||
|
Reference in New Issue
Block a user