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CP2K is a freely available (GPL) program, written in Fortran 95, to perform atomistic and molecular simulations of solid state, liquid, molecular and biological systems. It provides a general framework for different methods such as e.g. density functional theory (DFT) using a mixed Gaussian and plane waves approach (GPW), and classical pair and many-body potentials. CP2K does not implement Car-Parinello Molecular Dynamics (CPMD). This package contains the parallel single- and multi-threaded versions using mpich.
Package | Summary | Distribution | Download |
cp2k-mpich-2024.1-8.fc41.aarch64.html | Molecular simulations software - mpich version | Fedora Rawhide for aarch64 | cp2k-mpich-2024.1-8.fc41.aarch64.rpm |
cp2k-mpich-2024.1-8.fc41.i686.html | Molecular simulations software - mpich version | Fedora Rawhide for x86_64 | cp2k-mpich-2024.1-8.fc41.i686.rpm |
cp2k-mpich-2024.1-8.fc41.ppc64le.html | Molecular simulations software - mpich version | Fedora Rawhide for ppc64le | cp2k-mpich-2024.1-8.fc41.ppc64le.rpm |
cp2k-mpich-2024.1-8.fc41.x86_64.html | Molecular simulations software - mpich version | Fedora Rawhide for x86_64 | cp2k-mpich-2024.1-8.fc41.x86_64.rpm |
cp2k-mpich-2024.1-5.fc40.aarch64.html | Molecular simulations software - mpich version | Fedora 40 updates for aarch64 | cp2k-mpich-2024.1-5.fc40.aarch64.rpm |
cp2k-mpich-2024.1-5.fc40.i686.html | Molecular simulations software - mpich version | Fedora 40 updates for x86_64 | cp2k-mpich-2024.1-5.fc40.i686.rpm |
cp2k-mpich-2024.1-5.fc40.x86_64.html | Molecular simulations software - mpich version | Fedora 40 updates for x86_64 | cp2k-mpich-2024.1-5.fc40.x86_64.rpm |
cp2k-mpich-2024.1-4.fc40.aarch64.html | Molecular simulations software - mpich version | Fedora 40 for aarch64 | cp2k-mpich-2024.1-4.fc40.aarch64.rpm |
cp2k-mpich-2024.1-4.fc40.i686.html | Molecular simulations software - mpich version | Fedora 40 for x86_64 | cp2k-mpich-2024.1-4.fc40.i686.rpm |
cp2k-mpich-2024.1-4.fc40.ppc64le.html | Molecular simulations software - mpich version | Fedora 40 for ppc64le | cp2k-mpich-2024.1-4.fc40.ppc64le.rpm |
cp2k-mpich-2024.1-4.fc40.s390x.html | Molecular simulations software - mpich version | Fedora 40 for s390x | cp2k-mpich-2024.1-4.fc40.s390x.rpm |
cp2k-mpich-2024.1-4.fc40.x86_64.html | Molecular simulations software - mpich version | Fedora 40 for x86_64 | cp2k-mpich-2024.1-4.fc40.x86_64.rpm |
cp2k-mpich-2023.1-2.fc38.aarch64.html | Molecular simulations software - mpich version | Fedora 39 for aarch64 | cp2k-mpich-2023.1-2.fc38.aarch64.rpm |
cp2k-mpich-2023.1-2.fc38.ppc64le.html | Molecular simulations software - mpich version | Fedora 39 for ppc64le | cp2k-mpich-2023.1-2.fc38.ppc64le.rpm |
cp2k-mpich-2023.1-2.fc38.s390x.html | Molecular simulations software - mpich version | Fedora 39 for s390x | cp2k-mpich-2023.1-2.fc38.s390x.rpm |
cp2k-mpich-2023.1-2.fc38.x86_64.html | Molecular simulations software - mpich version | Fedora 39 for x86_64 | cp2k-mpich-2023.1-2.fc38.x86_64.rpm |
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