Bases: MSONable
Documentation for the Cp2kCube class.
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as_dict()[source]
Returns data dict of Cp2kCube instance.
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copy()[source]
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get_cell()[source]
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get_integration()[source]
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get_mav(l1, l2=0, ncov=1, interpolate=False, axis='z')[source]
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get_pav(axis='z', interpolate=False)[source]
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get_stc()[source]
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property num_atoms
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quick_plot(axis='z', interpolate=False)[source]
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read_cell()[source]
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static read_cube_vals(fname, num_atoms, grid_point)[source]
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static read_grid_point(fname)[source]
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static read_gs_matrix(fname)[source]
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reduce_resolution(stride, axis='xyz')[source]
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view_cube_acsii(axis='z', mav=False, l1=None, l2=None, ncov=1, unit='au', width=135)[source]
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write_cube(fname, comments='#')[source]