use OrderedDict

pyiron · Dec 25, 2023 · feb1a46 · feb1a46
1 parent d671e4d
commit feb1a46
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Showing 2 changed files with 5 additions and 4 deletions.
diff --git a/atomistics/workflows/elastic/helper.py b/atomistics/workflows/elastic/helper.py
@@ -1,3 +1,5 @@
+from collections import OrderedDict
+
 import numpy as np
 import scipy.constants
 
@@ -29,7 +31,7 @@ def generate_structures_helper(
         "epss": epss,
     }
 
-    structure_dict = {}
+    structure_dict = OrderedDict()
     if 0.0 in epss:
         structure_dict[zero_strain_job_name] = structure.copy()
 

diff --git a/atomistics/workflows/elastic/workflow.py b/atomistics/workflows/elastic/workflow.py
@@ -1,4 +1,3 @@
-from collections import OrderedDict
 import numpy as np
 
 from atomistics.shared.output import OutputElastic
@@ -39,8 +38,8 @@ def __init__(
         self.eps_range = eps_range
         self.sqrt_eta = sqrt_eta
         self.fit_order = fit_order
-        self._data = OrderedDict()
-        self._structure_dict = OrderedDict()
+        self._data = dict()
+        self._structure_dict = dict()
         self.Lag_strain_list = []
         self.epss = np.array([])
         self.zero_strain_job_name = "s_e_0"