Added test for get_fel

2023-12-06 10:55:55 +01:00
parent d8154d3c38
commit fa2e793354
6 changed files with 62 additions and 6 deletions
--- a/src/mdevaluate/free_energy_landscape.py
+++ b/src/mdevaluate/free_energy_landscape.py
@@ -1,13 +1,14 @@
+from functools import partial
+import os.path
+
 import numpy as np
 import math
 import scipy
+from scipy import spatial as sp
 import cmath
 import pandas as pd
-
-from functools import partial
-import os.path
 import multiprocessing as mp
-from scipy import spatial as sp
+

 VALID_GEOMETRY = {"cylindrical", "slab"}