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        "author": "Janne Solanp\u00e4\u00e4",
        "author_email": "janne+compphys@solanpaa.fi",
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        "classifiers": [
            "License :: OSI Approved :: Boost Software License 1.0 (BSL-1.0)",
            "Programming Language :: Python :: 3 :: Only",
            "Topic :: Scientific/Engineering :: Physics"
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        "description": "quantum_dynamics -- simulation of 1D time-dependent Schr\u00f6dinger equation\n========================================================================\n\nThe `quantum_dynamics` package contains tools for simulation of 1D\ntime-dependent Schr\u00f6dinger equation. The package allows for simulation of 1D\nmodel potentials and time-dependent external interactions, e.g., an laser\nelectric field in the dipole approximation.\n\nThis package has been created as a reference solution to an exercise in the\ncomputational physics course at Tampere University of Technology in Spring\n2018. \n\nThe key numerical methods behind the package are:\n\n  1. finite-difference approximation of the laplacian operator with Dirichlet\n     boundary conditions at the endpoints of the simulation grid\n  2. exponential mid-point rule for the time-evolution operator\n  3. krylov-subspace based implementation of the matrix exponential\n\nUpon successful installation, two executables are copied to your PATH:\n  * qdyn_laser\n  * plot_time_evolution\n\nqdyn_laser\n----------\n\nThis simulates the electron in 1D soft coulomb potential (\"1D hydrogen\") under\nlaser electric field with sin^2 envelope and cosine carrier wave. Please\nconsult the help of the script for all options: ``qdyn_laser --help``.\n\nAfter a successful simulation, an outputfile of HDF5-format is created. It\ncontains the following datasets and groups\n\n``coordinate_grid``\n    The gridpoints of the coordinate space used in the calculation.\n\n``savetimes``\n    The times corresponding to the saved wavefunction values in the file.\n\n``wavefunction``\n    A 2D array of values of the wavefunction. The first index corresponds to\n    ``coordinate_grid`` and the second index to ``savetimes``.\n\n``final_wavefunction``\n    Wavefunction values at the end of the simulation.\n\n``laser``\n    The laser electric field for `all` timesteps. First column is times, second\n    the laser electric field values.\n\n``tise_hamiltonian``\n    The time-independent part of the Hamiltonian matrix. It's saved as a sparse\n    matrix and can be loaded with ``quantum_dynamics.utils.load_sparse_matrix``\n    like::\n\n        from quantum_dynamics.utils import load_sparse matrix\n        import h5py\n\n        with h5py.File(\"myfile.h5\", \"r\") as f:\n            H0 = load_sparse_matrix(f['tise_hamiltonian'])\n\n\n\nplot_time_evolution\n-------------------\n\nThis can be used to visualize the time-evolved density calcualted with\n`qdyn_laser`. For usage instructions, please see ``plot_time_evolution --help``.\n\nAuthors\n-------\nJanne Solanp\u00e4\u00e4\n\n\n",
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        "keywords": "numerics linear algebra schr\u00f6dinger quantum",
        "license": "Boost Software License 1.0",
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        "name": "quantum-dynamics",
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