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Continuous symmetry measures (CSM) of the electronic density from Gaussian cube file
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abelcarreras/cubesym
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--------------------------------------------------------- CUBESYM 1.0 --------------------------------------------------------- Program to calculate continuous symmetry measures (CSM) of the electronic density along a rotation axis from a Gaussian cube format file --------------------------------------------------------- Installation instructions --------------------------------------------------------- 1. Requirements Python 2.7 or higher Matplotlib numpy Scipy 2. Run cubesym script to start --------------------------------------------------------- Contact info --------------------------------------------------------- Abel Carreras abelcarreras83@gmail.com
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Continuous symmetry measures (CSM) of the electronic density from Gaussian cube file
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