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Showing 2 open source projects for "theory"
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miepython
Mie scattering of light by perfect spheres
miepython is a pure Python module to calculate light scattering for non-absorbing, partially-absorbing, or perfectly-conducting spheres. Mie theory is used, following the procedure described by Wiscombe. This code has been validated against his results. This code provides functions for calculating the extinction efficiency, scattering efficiency, backscattering, and scattering asymmetry. Moreover, a set of angles can be given to calculate the scattering for a sphere at each of those angles. -
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DeepH-pack
Deep neural networks for density functional theory Hamiltonian
DeepH-pack is the official implementation of the DeepH (Deep Hamiltonian) method described in the paper Deep-learning density functional theory Hamiltonian for efficient ab initio electronic-structure calculation and in the Research Briefing. DeepH-pack supports DFT results made by ABACUS, OpenMX, FHI-aims or SIESTA and will support HONPAS.
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