Replace calculations import with py4vasp import

vasp-dev · Oct 6, 2023 · 83296f3 · 83296f3
1 parent 786a2cc
commit 83296f3
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Showing 2 changed files with 9 additions and 4 deletions.
diff --git a/src/py4vasp/__init__.py b/src/py4vasp/__init__.py
@@ -1,8 +1,8 @@
 # Copyright © VASP Software GmbH,
 # Licensed under the Apache License 2.0 (http://www.apache.org/licenses/LICENSE-2.0)
+from py4vasp._analysis.mlff import MLFFErrorAnalysis
 from py4vasp._calculation import Calculation
 from py4vasp._calculations import Calculations
-from py4vasp._analysis.mlff import MLFFErrorAnalysis 
 from py4vasp._third_party.graph import plot
 from py4vasp._third_party.interactive import set_error_handling
 

diff --git a/src/py4vasp/_analysis/mlff.py b/src/py4vasp/_analysis/mlff.py
@@ -5,7 +5,8 @@
 
 import numpy as np
 
-from py4vasp import Calculations, exception
+import py4vasp
+from py4vasp import exception
 
 
 class MLFFErrorAnalysis:
@@ -71,7 +72,9 @@ def from_paths(cls, dft_data, mlff_data):
             Path to the MLFF data. Accepts wildcards.
         """
         mlff_error_analysis = cls(_internal=True)
-        calculations = Calculations.from_paths(dft_data=dft_data, mlff_data=mlff_data)
+        calculations = py4vasp.Calculations.from_paths(
+            dft_data=dft_data, mlff_data=mlff_data
+        )
         mlff_error_analysis._calculations = calculations
         set_appropriate_attrs(mlff_error_analysis)
         return mlff_error_analysis
@@ -92,7 +95,9 @@ def from_files(cls, dft_data, mlff_data):
             Path to the MLFF data. Accepts wildcards.
         """
         mlff_error_analysis = cls(_internal=True)
-        calculations = Calculations.from_files(dft_data=dft_data, mlff_data=mlff_data)
+        calculations = py4vasp.Calculations.from_files(
+            dft_data=dft_data, mlff_data=mlff_data
+        )
         mlff_error_analysis._calculations = calculations
         set_appropriate_attrs(mlff_error_analysis)
         return mlff_error_analysis