bandu 1.3.3__tar.gz → 1.3.4__tar.gz
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-1.3.3/src/bandu.egg-info → bandu-1.3.4}/PKG-INFO +1 -1
- {bandu-1.3.3 → bandu-1.3.4}/pyproject.toml +1 -1
- {bandu-1.3.3 → bandu-1.3.4}/src/bandu/xsf_reader.py +3 -3
- {bandu-1.3.3 → bandu-1.3.4/src/bandu.egg-info}/PKG-INFO +1 -1
- {bandu-1.3.3 → bandu-1.3.4}/LICENSE +0 -0
- {bandu-1.3.3 → bandu-1.3.4}/README.md +0 -0
- {bandu-1.3.3 → bandu-1.3.4}/setup.cfg +0 -0
- {bandu-1.3.3 → bandu-1.3.4}/src/bandu/abinit_reader.py +0 -0
- {bandu-1.3.3 → bandu-1.3.4}/src/bandu/bandu.py +0 -0
- {bandu-1.3.3 → bandu-1.3.4}/src/bandu/brillouin_zone.py +0 -0
- {bandu-1.3.3 → bandu-1.3.4}/src/bandu/colors.py +0 -0
- {bandu-1.3.3 → bandu-1.3.4}/src/bandu/isosurface_class.py +0 -0
- {bandu-1.3.3 → bandu-1.3.4}/src/bandu/plotter.py +0 -0
- {bandu-1.3.3 → bandu-1.3.4}/src/bandu/translate.py +0 -0
- {bandu-1.3.3 → bandu-1.3.4}/src/bandu/wfk_class.py +0 -0
- {bandu-1.3.3 → bandu-1.3.4}/src/bandu.egg-info/SOURCES.txt +0 -0
- {bandu-1.3.3 → bandu-1.3.4}/src/bandu.egg-info/dependency_links.txt +0 -0
- {bandu-1.3.3 → bandu-1.3.4}/src/bandu.egg-info/top_level.txt +0 -0
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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: 1.3.4
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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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for i, line in enumerate(self.xsf_lines):
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# get lattice vectors from XSF file
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if line.strip() == 'PRIMVEC':
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self.lattice[0,:] = [float(val) for val in self.xsf_lines[i+1].strip().split(' ')]
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self.lattice[1,:] = [float(val) for val in self.xsf_lines[i+2].strip().split(' ')]
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self.lattice[2,:] = [float(val) for val in self.xsf_lines[i+3].strip().split(' ')]
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self.lattice[0,:] = [float(val) for val in self.xsf_lines[i+1].strip().split(' ') if val != '']
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self.lattice[1,:] = [float(val) for val in self.xsf_lines[i+2].strip().split(' ') if val != '']
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self.lattice[2,:] = [float(val) for val in self.xsf_lines[i+3].strip().split(' ') if val != '']
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# get number of atoms and atomic symbols
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# get atomic coordinates from XSF file
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if line.strip() == 'PRIMCOORD':
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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: 1.3.4
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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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