dfpt.vzsisa: Use bo_ prefix for Born-Oppenheimer quantities

abinit · Dec 27, 2024 · 765075f · 765075f
1 parent e46c020
commit 765075f
Show file tree

Hide file tree

Showing 3 changed files with 252 additions and 261 deletions.
diff --git a/abipy/dfpt/tests/test_vzsisa.py b/abipy/dfpt/tests/test_vzsisa.py
@@ -41,7 +41,7 @@ def test_vzsisa(self):
         assert qha.to_string(verbose=1)
 
         data = qha.fit_tot_energies(tstart=0, tstop=0, num=1,
-                                    tot_energies=qha.energies[np.newaxis, :].T, volumes=qha.volumes)
+                                    tot_energies=qha.bo_energies[np.newaxis, :].T, volumes=qha.bo_volumes)
 
         self.assert_almost_equal(data.tot_en,
            [[-230.27531394],