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shf

A simple Hartree–Fock program with MP2 and CCSD extension.

This program is written to learn a bit about quantum chemistry and fortran programming. Until now I stick at most to the crawdad programming project (link below). I share my first program in the hope that it helps someone when starting either with fortran or quantum chemistry.

http://sirius.chem.vt.edu/wiki/doku.php?id=crawdad:programming

CCSD code is under development and currently not working.