cp2k

Quantum chemistry and solid state physics software package

https://www.cp2k.org/

Current versions:

stable 5.1
bottle 🍾 high_sierra, sierra, el_capitan

Revision: 2

Depends on:

fftw 3.3.7 C routines to compute the Discrete Fourier Transform
gcc 8.1.0 GNU compiler collection
libxc 3.0.1 Library of exchange and correlation functionals for codes
open-mpi 3.1.0 High performance message passing library
scalapack 2.0.2 High-performance linear algebra for distributed memory machines

JSON API for cp2k

Formula code on GitHub

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