Pierre-Francois Loos
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| .. | ||
| README.txt | ||
| boxints.txt | ||
| fci.f | ||
| standard.f | ||
README.txt
On 19 Dec 2013, Peter Knowles sent me various files to allow me to do Full CI calculations. To compile, I needed to do: gfortran -lblas fci.f standard.f To run, I needed to do: ./a.out < hf.dat The resulting output compared well with the file hf.out that Peter K provided. The program uses single-bar, not double-bar, integrals.