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I added
HoppingMatrix
andCrystalFieldSplitting
properties, as well asWignerSeitz
as a variable.@JFRudzinski @Bernadette-Mohr @ndaelman-hu please, note that rank, in order for setting the dynamic shape of
value
requires to have some quantities already define during instantiation of the class. In this example ofHoppingMatrix
,rank=[self.n_orbitals, self.n_orbitals]
, hence we need to instantiate during parsing/normalizing likehopping_matrix = HoppingMatrix(n_orbitals=4)
.I still need to:
Closes #60