Merge branch 'workshop' of github.com:vasp-dev/py4vasp into workshop

vasp-dev · Sep 15, 2023 · fd50318 · fd50318
2 parents 5691193 + b3fa063
commit fd50318
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Showing 2 changed files with 3 additions and 3 deletions.
diff --git a/src/py4vasp/_calculations.py b/src/py4vasp/_calculations.py
@@ -22,7 +22,7 @@ def _path_finder(**kwargs):
                 message = """\
 Please provide a path to a VASP calculation as a string or pathlib.Path."""
                 raise exception.IncorrectUsage(message)
-            paths = pathlib.Path(value).expanduser().resolve()
+            paths = pathlib.Path(value).expanduser().absolute()
             if "*" in paths.as_posix():
                 paths = sorted(list(paths.parent.glob(paths.name)))
             else:

diff --git a/src/py4vasp/_data/energy.py b/src/py4vasp/_data/energy.py
@@ -87,10 +87,10 @@ def to_dict(self, selection=None):
         return dict(self._read_data(tree, self._steps))
 
     def _default_dict(self):
+        raw_values = np.array(self._raw_data.values).T
         return {
             convert.text_to_string(label).strip(): value[self._steps]
-            #for label, value in zip(self._raw_data.labels, self._raw_data.values.T)
-            for label, value in zip(self._raw_data.labels, np.array( self._raw_data.values).T )
+            for label, value in zip(self._raw_data.labels, raw_values)
         }
 
     @base.data_access