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Minor fixes #126
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@ladinesa (once you feel better): can you tell me your thoughts on the first todo point regarding the order of calling normalize? I can explain more in detail (but you can also read the issue in the parser). Also, the last point: I do not know why, but the It only happens for Any ideas what is going on wrong? I can share some branch with you to test. |
Did you generate the gui artifacts? it could be that the definition is simply not loaded. |
Yeah I did, but I can double check again (or maybe do before ctrl+f5...). ModelMethod seems to be working. |
You could also try to normalize 'reciprocal_lattice_vectors' in the sub-section, and put an if in the main section if this is already normalized. You can isolate the normalize function for the reciprocal lattice vector so you can easily call it in the child section, something like self.m_parent.normalize_reciprocal_lattice_vector(..). The current normalizer level applies only for the sub sections in a section but I am not sure how we can do this to order generally and if this makes sense. |
While I was debugging using the Wannier90 parser, I got some errors to be fixed (see nomad-parser-wannier90#3):
KSpace
and then its subsections (KMesh
andKLinePath
).spectral_profile.py
adding condition forif self.name == 'ElectronicDensityOfStates'
for total DOS.ElectronicBandStructure.normalize()
once DFT+TB workflow is resolved.SinglePoint.inputs
andoutputs
section are not shown.The text was updated successfully, but these errors were encountered: