bandu 1.3.1__py3-none-any.whl → 1.3.2__py3-none-any.whl

bandu/abinit_reader.py

@@ -963,11 +963,7 @@ class AbinitNetCDF():
         self.nband:int = int(self.dataset.dimensions['bantot'].size / self.nkpt)
         self.typat:list = self.dataset.variables['atom_species'][:].tolist()
         self.zion:np.ndarray = self.dataset.variables['atomic_numbers'][:]
-        _all_ions = [int(self.zion[i-1]) for i in self.typat]
-        self.znucltypat:list = []
-        for i in _all_ions:
-            if i not in self.znucltypat:
-                self.znucltypat.append(i)
+        self.znucltypat:list = [int(nuc) for nuc in self.zion]
         self.bands = [self.nband]
 #---------------------------------------------------------------------------------------------------------------------#
 #------------------------------------------------------ METHODS ------------------------------------------------------#

{bandu-1.3.1.dist-info → bandu-1.3.2.dist-info}/METADATA

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: bandu
-Version: 1.3.1
+Version: 1.3.2
 Summary: The BandU program constructs a rank ordered series of crystal orbitals using principal component analysis. These principal orbital components can then be projected on the Fermi surface and visualized
 Author-email: Patrick Cross <pcross@wisc.edu>
 Project-URL: Homepage, https://github.com/pcross0405/BandU

{bandu-1.3.1.dist-info → bandu-1.3.2.dist-info}/RECORD

@@ -1,4 +1,4 @@
-bandu/abinit_reader.py,sha256=U4HUUTnju9MpyGtWMOedUQLln90k2F0XIv0Q0zcP05c,47704
+bandu/abinit_reader.py,sha256=ivrHoozX_oN-bbhMW-vb4FzodcIVM-wcO8-MRzo39H4,47556
 bandu/bandu.py,sha256=1B7FZb3eYNm9JhPzEwZoGCAUNZpPD9Oux79eVCwSopE,12785
 bandu/brillouin_zone.py,sha256=-SarCuvUthk5h_sFHM6KDHLns1eCWGk_v5fHngWFu08,7997
 bandu/colors.py,sha256=OcIBwVh9ieu04n1cruRgyoYslKsdfJKf-u4oWMd3CwQ,2316
@@ -7,8 +7,8 @@ bandu/plotter.py,sha256=jvxsvabzTxgWUZxX2XtO1VFoMdiu0C_qXdODJqpBfrA,27718
 bandu/translate.py,sha256=YGTkwne4bdrw649OjRKBio7IBsCNVoa__rjkFZK6uRI,2217
 bandu/wfk_class.py,sha256=j7bvEAb9eUU77mHGNLGdPpmpgVBb6bsKQqej9n0cANc,26203
 bandu/xsf_reader.py,sha256=JegYFLXFaijR09qUauFzQ1IqOcgxxBXx4gfBPtooZfU,4860
-bandu-1.3.1.dist-info/licenses/LICENSE,sha256=jk_B-WYDiyH9RtxC45pO6JUtBxmfX5i240dVzv1okCg,1088
-bandu-1.3.1.dist-info/METADATA,sha256=WjYkKWHlGeMcrXkolD6uQnDZKIGcAEZEpDcW5XJ5q8A,8945
-bandu-1.3.1.dist-info/WHEEL,sha256=_zCd3N1l69ArxyTb8rzEoP9TpbYXkqRFSNOD5OuxnTs,91
-bandu-1.3.1.dist-info/top_level.txt,sha256=AxbMFU3BRdjCr75K9gAdblwlBMQ3qr9-AaCC-IS8OWs,6
-bandu-1.3.1.dist-info/RECORD,,
+bandu-1.3.2.dist-info/licenses/LICENSE,sha256=jk_B-WYDiyH9RtxC45pO6JUtBxmfX5i240dVzv1okCg,1088
+bandu-1.3.2.dist-info/METADATA,sha256=cfySza0KDj8s3dBg3bqb2skUhyXPZs885ZlxSBzmI_8,8945
+bandu-1.3.2.dist-info/WHEEL,sha256=_zCd3N1l69ArxyTb8rzEoP9TpbYXkqRFSNOD5OuxnTs,91
+bandu-1.3.2.dist-info/top_level.txt,sha256=AxbMFU3BRdjCr75K9gAdblwlBMQ3qr9-AaCC-IS8OWs,6
+bandu-1.3.2.dist-info/RECORD,,