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This code corresponds to https://github.com/jeffhammond/nwchem/tree/ccsd_trpdrv_omp_c99/src/ccsd (or https://github.com/nwchemgit/nwchem/tree/master/src/ccsd if it is merged).

The evolution of the code was:

  1. src/ccsd/ccsd_trpdrv.F
  2. src/ccsd/ccsd_trpdrv_nb.F (nonblocking communication)
  3. src/ccsd/ccsd_trpdrv_bgp2.F (Blue Gene/P version)
  4. src/ccsd/ccsd_trpdrv_omp.F (standard OpenMP)
  5. src/ccsd/ccsd_trpdrv_omp_fn.F (calls out to Fortran or C99 for the compute)