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  1. CPMD CPMD Public

    Forked from CPMD-code/CPMD

    The CPMD code is a parallelized plane wave / pseudopotential implementation of Density Functional Theory, particularly designed for ab-initio molecular dynamics.

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  2. spack spack Public

    Forked from spack/spack

    A flexible package manager that supports multiple versions, configurations, platforms, and compilers.

    Python

  3. pyscf-forge pyscf-forge Public

    Forked from pyscf/pyscf-forge

    pyscf-forge is a staging ground for code that may be suitable for pyscf-core

    Python