bandu 1.3.4__py3-none-any.whl → 1.3.5__py3-none-any.whl
This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
- bandu/xsf_reader.py +2 -2
- {bandu-1.3.4.dist-info → bandu-1.3.5.dist-info}/METADATA +1 -1
- {bandu-1.3.4.dist-info → bandu-1.3.5.dist-info}/RECORD +6 -6
- {bandu-1.3.4.dist-info → bandu-1.3.5.dist-info}/WHEEL +0 -0
- {bandu-1.3.4.dist-info → bandu-1.3.5.dist-info}/licenses/LICENSE +0 -0
- {bandu-1.3.4.dist-info → bandu-1.3.5.dist-info}/top_level.txt +0 -0
bandu/xsf_reader.py
CHANGED
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@@ -46,7 +46,7 @@ class XSF():
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self.elements = []
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for atom in range(self.natoms):
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coord = self.xsf_lines[i+atom+2].strip().split(' ')
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49
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-
coord = [float(val) for val in coord]
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+
coord = [float(val) for val in coord if val != '']
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element = atom_labels[int(coord[0])]
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self.elements.append(element)
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del coord[0]
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@@ -54,7 +54,7 @@ class XSF():
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# once density block is reached, get ngfft spacing and end init
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if line.strip() == datagrid:
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ngfft_spacing = self.xsf_lines[i+1].strip().split(' ')
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-
ngfft_spacing = [int(val) for val in ngfft_spacing]
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+
ngfft_spacing = [int(val) for val in ngfft_spacing if val != '']
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self.ngfftx = ngfft_spacing[0]
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self.ngffty = ngfft_spacing[1]
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self.ngfftz = ngfft_spacing[2]
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@@ -1,6 +1,6 @@
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Metadata-Version: 2.4
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Name: bandu
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-
Version: 1.3.
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+
Version: 1.3.5
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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
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Author-email: Patrick Cross <pcross@wisc.edu>
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Project-URL: Homepage, https://github.com/pcross0405/BandU
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@@ -6,9 +6,9 @@ bandu/isosurface_class.py,sha256=M6XAuy89uyX3v_JX3wYd5VqAWel9JiMQ7wRBhFhhn3A,102
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bandu/plotter.py,sha256=jvxsvabzTxgWUZxX2XtO1VFoMdiu0C_qXdODJqpBfrA,27718
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bandu/translate.py,sha256=YGTkwne4bdrw649OjRKBio7IBsCNVoa__rjkFZK6uRI,2217
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bandu/wfk_class.py,sha256=j7bvEAb9eUU77mHGNLGdPpmpgVBb6bsKQqej9n0cANc,26203
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bandu/xsf_reader.py,sha256=
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bandu-1.3.
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bandu-1.3.
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bandu-1.3.
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bandu-1.3.
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bandu-1.3.
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bandu/xsf_reader.py,sha256=zLHBVUHcO4kPkZEXOpB1F4VzNtcvt7vbH4Ew2zemEj0,5095
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10
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bandu-1.3.5.dist-info/licenses/LICENSE,sha256=jk_B-WYDiyH9RtxC45pO6JUtBxmfX5i240dVzv1okCg,1088
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bandu-1.3.5.dist-info/METADATA,sha256=RRyEI065rk5Fm1D4q9Op4r86UOGwc62CQo2UqlsZfo0,8945
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bandu-1.3.5.dist-info/WHEEL,sha256=_zCd3N1l69ArxyTb8rzEoP9TpbYXkqRFSNOD5OuxnTs,91
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bandu-1.3.5.dist-info/top_level.txt,sha256=AxbMFU3BRdjCr75K9gAdblwlBMQ3qr9-AaCC-IS8OWs,6
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bandu-1.3.5.dist-info/RECORD,,
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File without changes
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File without changes
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File without changes
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