qcscine/nevpt2 qcscine/nevpt2

  • Stars
    star
    5
  • Rank 2,861,937 (Top 57 %)
  • Language
    Fortran
  • License
    GNU Lesser Genera...
  • Created about 4 years ago
  • Updated almost 4 years ago
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qcscine/nevpt2
github

qcscine

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Repository Details

QD-NEVPT2 program originally by Angeli, Cimiraglia and Malrieu with QCMaquis DMRG, Cholesky decomposition of integrals and OpenMOLCAS interface support. To be installed and run from OpenMolcas.

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