diff --git a/src/nomad_simulations/outputs.py b/src/nomad_simulations/outputs.py index 60ab732c..7ab08cdb 100644 --- a/src/nomad_simulations/outputs.py +++ b/src/nomad_simulations/outputs.py @@ -81,12 +81,12 @@ class Outputs(ArchiveSection): sub_section=ElectronicDensityOfStates.m_def, repeats=True ) + permittivity = SubSection(sub_section=Permittivity.m_def, repeats=True) + absorption_spectrum = SubSection(sub_section=AbsorptionSpectrum.m_def, repeats=True) xas_spectrum = SubSection(sub_section=XASSpectrum.m_def, repeats=True) - permittivity = SubSection(sub_section=Permittivity.m_def, repeats=True) - # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # #