added TotalEnergy

nomad-coe · Jun 13, 2024 · 9bdc61b · 9bdc61b
1 parent 77cfeec
commit 9bdc61b
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Showing 2 changed files with 4 additions and 1 deletion.
diff --git a/src/nomad_simulations/outputs.py b/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)
+
     # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # #
     # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # #
 

diff --git a/src/nomad_simulations/properties/__init__.py b/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,