minor fix

keysongkang · Jun 19, 2024 · 57cb495 · 57cb495
1 parent ac1f93e
commit 57cb495
Show file tree

Hide file tree

Showing 2 changed files with 4 additions and 1 deletion.
diff --git a/libs/lib_cont_nvtlangevin.py b/libs/lib_cont_nvtlangevin.py
@@ -9,7 +9,7 @@
 import numpy as np
 from decimal import Decimal
 
-from libs.lib_util    import single_print, mpi_print
+from libs.lib_util    import single_print
 from libs.lib_MD_util import get_forces, get_MDinfo_temp, get_masses
 from libs.lib_criteria import eval_uncert, uncert_strconvter, get_criteria, get_criteria_prob
 

diff --git a/scripts/utils.py b/scripts/utils.py
@@ -230,6 +230,9 @@ def split_son(num_split, E_gs, harmonic_F=False):
     if harmonic_F:
         single_print(f'[split_son]\tharmoic_F = True: Harmonic term will be excluded')
 
+    # take any inputs converted it to float
+    E_gs = eval(E_gs)
+
     single_print(f'[split_son]\tRead trajectory.son file')
     # Read trajectory.son file
     metadata, data = son.load('trajectory.son')