General information about Libint-CP2K¶
Libint is a library for the evaluation of molecular integrals of many-body operators over Gaussian functions https://github.com/evaleev/libint
For the CP2K open source molecular dynamics program, a CP2K-configured Libint library is available at https://github.com/cp2k/libint-cp2k
Disclaimer¶
PDC takes no responsibility for the correctness of results produced with the binaries. Always evaluate the binaries against known results for the systems and properties you are investigating before using the binaries for production jobs.
Installed software¶
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Cluster
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How to use
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How to build
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Dardel
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