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Q: PySCF: How to do CCSD calculations from an FCIDUMP file in HDF5 format?

Nike DattaniRecently my question: Why does CCSD work, but not CCSD(T), after reading an FCIDUMP in PySCF? lead to a bug fix that allows users to do CCSD(T) calculations from an FCIDUMP file in PySCF. That was with the FCIDUMP file being in ASCII format though! When the FCIDUMP file is in ASCII format, it's e...

 

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