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1 parent 71c3ad9 commit 86f804aCopy full SHA for 86f804a
docs/symmetry_adapted_basis.rst
@@ -188,10 +188,16 @@ visualization of the resulting SALCs.
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# 8) Visualize symmetry-adapted basis functions (SALCs)
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# as real-space contour plots
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# --------------------------------------------------------------------------
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+ # simple hack to visualize the basis functions
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+ res_salc['orbc'] = np.identity(res_salc['orbc'].shape[0])
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+ # custom defined planes
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+ planes = ['yz'] * res_salc['orbc'].shape[0]
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+ planes[8] = 'xy'
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+ planes[9] = 'xz'
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ContourPlotter.build_contourplot(
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res=res_salc,
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filename="ethylene_salcs_yz.png",
- plane="yz",
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+ plane=planes,
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sz=5.0,
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npts=101,
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nrows=2,
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