added TotalEnergy

Author: jrudz

src/nomad_simulations/outputs.py

@@ -40,6 +40,7 @@
     AbsorptionSpectrum,
     XASSpectrum,
     Permittivity,
+    TotalEnergy
 )
 
 
@@ -110,6 +111,8 @@ class Outputs(ArchiveSection):
 
     xas_spectra = SubSection(sub_section=XASSpectrum.m_def, repeats=True)
 
+    total_energy = SubSection(SubSection=TotalEnergy.m_def, repeats=True)
+
     # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # #
     # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # #
 

src/nomad_simulations/properties/__init__.py

@@ -16,7 +16,7 @@
 # See the License for the specific language governing permissions and
 # limitations under the License.
 
-from .energies import FermiLevel, ChemicalPotential
+from .energies import FermiLevel, ChemicalPotential, TotalEnergy
 from .band_gap import ElectronicBandGap
 from .spectral_profile import (
     SpectralProfile,