typo

jonaslb · Nov 13, 2019 · f68ea6b · f68ea6b
1 parent 60bb7b3
commit f68ea6b
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Showing 2 changed files with 2 additions and 4 deletions.
diff --git a/psiesta/ase.py b/psiesta/ase.py
@@ -15,7 +15,7 @@ def __init__(self, *args, atom_converter=None, **kwargs):
     def need_rerun(self, geom):
         return (
             (self.last_result is None)
-            or np.any(np.linalg.norm(geom.xyz-self.last_geom.xyz, axis=0)>1e-4)
+            or np.any(np.linalg.norm(geom.xyz-self.last_geom.xyz, axis=0) > 1e-4)
             )
 
     def _run_if_needed(self, atoms):
@@ -39,7 +39,7 @@ def get_stress(self, atoms):
         return self.last_result.stress.copy()
 
     def calculation_required(self, atoms, quantities):
-        return need_rerun(self._atoms2geom(atoms))
+        return self.need_rerun(self._atoms2geom(atoms))
 
     def get_fermi_level(self):
         if self.last_result is not None:

diff --git a/psiesta/psiesta.py b/psiesta/psiesta.py
@@ -35,8 +35,6 @@ def __init__(self):
         self._module = importlib.util.module_from_spec(self._spec)
         self._loader.exec_module(self._module)
 
-
-
     def launch(self, label):
         self._fsiesta = self._module.FSiesta(label, mpi_comm=comm)
         self.launched = True