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  1. AICS-Subroutines-CP2K AICS-Subroutines-CP2K Public

    The main subroutines of the anisotropic interface continuum solvation (AICS) method in CP2K, and the Fortran-C-Python interfaces codes between AICS and the finite-element anisotropic Poisson solver…

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    inverse-dft code based on FEniCSx/dolfinx and python

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    Quantum chemistry and solid state physics software package

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    Parallel finite-element solver for anisotropic Poisson equations

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