sfepy.physics.schroedinger_app module¶
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class
sfepy.physics.schroedinger_app.
SchroedingerApp
(conf, options, output_prefix, **kwargs)[source]¶ Base application for electronic structure calculations.
Subclasses should typically override solve_eigen_problem() method.
This class allows solving only simple single electron problems, e.g. well, oscillator, hydrogen atom and boron atom with 1 electron.
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static
process_options
(options)[source]¶ Application options setup. Sets default values for missing non-compulsory options.
Options:
- save_eig_vectors : (from_largest, from_smallest) or None
- If None, save all.
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static