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libGridXC

A library to compute the exchange and correlation energy and potential in spherical (i.e. an atom) or periodic systems. It is based on SiestaXC.

homepage: https://launchpad.net/libgridxc

version toolchain
0.8.5 iimpi/2019b
0.9.6 gompi/2020b
0.9.6 gompi/2021a
0.9.6 gompi/2021b
0.9.6 iimpi/2020b
0.9.6 iimpi/2021a
0.9.6 iimpi/2021b
1.1.0 gompi/2022a

(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)