bandu 1.3.3__py3-none-any.whl → 1.3.5__py3-none-any.whl

bandu/xsf_reader.py

@@ -35,9 +35,9 @@ class XSF():
         for i, line in enumerate(self.xsf_lines):
             # get lattice vectors from XSF file
             if line.strip() == 'PRIMVEC':
-                self.lattice[0,:] = [float(val) for val in self.xsf_lines[i+1].strip().split(' ')]
-                self.lattice[1,:] = [float(val) for val in self.xsf_lines[i+2].strip().split(' ')]
-                self.lattice[2,:] = [float(val) for val in self.xsf_lines[i+3].strip().split(' ')]
+                self.lattice[0,:] = [float(val) for val in self.xsf_lines[i+1].strip().split(' ') if val != '']
+                self.lattice[1,:] = [float(val) for val in self.xsf_lines[i+2].strip().split(' ') if val != '']
+                self.lattice[2,:] = [float(val) for val in self.xsf_lines[i+3].strip().split(' ') if val != '']
             # get number of atoms and atomic symbols
             # get atomic coordinates from XSF file
             if line.strip() == 'PRIMCOORD':
@@ -46,7 +46,7 @@ class XSF():
                 self.elements = []
                 for atom in range(self.natoms):
                     coord = self.xsf_lines[i+atom+2].strip().split(' ')
-                    coord = [float(val) for val in coord]
+                    coord = [float(val) for val in coord if val != '']
                     element = atom_labels[int(coord[0])]
                     self.elements.append(element)
                     del coord[0]
@@ -54,7 +54,7 @@ class XSF():
             # once density block is reached, get ngfft spacing and end init
             if line.strip() == datagrid:
                 ngfft_spacing = self.xsf_lines[i+1].strip().split(' ')
-                ngfft_spacing = [int(val) for val in ngfft_spacing]
+                ngfft_spacing = [int(val) for val in ngfft_spacing if val != '']
                 self.ngfftx = ngfft_spacing[0]
                 self.ngffty = ngfft_spacing[1]
                 self.ngfftz = ngfft_spacing[2]

{bandu-1.3.3.dist-info → bandu-1.3.5.dist-info}/METADATA

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: bandu
-Version: 1.3.3
+Version: 1.3.5
 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-1.3.3.dist-info → bandu-1.3.5.dist-info}/RECORD

@@ -6,9 +6,9 @@ bandu/isosurface_class.py,sha256=M6XAuy89uyX3v_JX3wYd5VqAWel9JiMQ7wRBhFhhn3A,102
 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=tkJaBiUHsEKvpdJishi-MZyU1NYYMsgH_8UuuYsG07A,5030
-bandu-1.3.3.dist-info/licenses/LICENSE,sha256=jk_B-WYDiyH9RtxC45pO6JUtBxmfX5i240dVzv1okCg,1088
-bandu-1.3.3.dist-info/METADATA,sha256=w1VzntS0rWvnJzXJvFI1sRBTZYDZiguMscJNY9CZPf8,8945
-bandu-1.3.3.dist-info/WHEEL,sha256=_zCd3N1l69ArxyTb8rzEoP9TpbYXkqRFSNOD5OuxnTs,91
-bandu-1.3.3.dist-info/top_level.txt,sha256=AxbMFU3BRdjCr75K9gAdblwlBMQ3qr9-AaCC-IS8OWs,6
-bandu-1.3.3.dist-info/RECORD,,
+bandu/xsf_reader.py,sha256=zLHBVUHcO4kPkZEXOpB1F4VzNtcvt7vbH4Ew2zemEj0,5095
+bandu-1.3.5.dist-info/licenses/LICENSE,sha256=jk_B-WYDiyH9RtxC45pO6JUtBxmfX5i240dVzv1okCg,1088
+bandu-1.3.5.dist-info/METADATA,sha256=RRyEI065rk5Fm1D4q9Op4r86UOGwc62CQo2UqlsZfo0,8945
+bandu-1.3.5.dist-info/WHEEL,sha256=_zCd3N1l69ArxyTb8rzEoP9TpbYXkqRFSNOD5OuxnTs,91
+bandu-1.3.5.dist-info/top_level.txt,sha256=AxbMFU3BRdjCr75K9gAdblwlBMQ3qr9-AaCC-IS8OWs,6
+bandu-1.3.5.dist-info/RECORD,,