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multicharge

Electronegativity equilibration model for atomic partial charges.

homepage: https://github.com/grimme-lab/multicharge

version toolchain
0.2.0 gfbf/2022b
0.2.0 iimkl/2022a
0.2.0 iimkl/2022b
0.3.0 gfbf/2023a
0.3.0 gfbf/2023b
0.3.0 gomkl/2023b

(quick links: (all) - 0 - a - b - c - d - e - f - g - h - i - j - k - l - m - n - o - p - q - r - s - t - u - v - w - x - y - z)