CCL: optimization with internal coordinates



 Hi,
 I just recently came across a paper by Jon Baker, Alain Kessi and
 Bernard Delley [J. Chem. Phys. 105(1), 192, (1996): "The generation and
 use of delocalized internal coordinates in geometry optimization"] that
 describes an efficient algorithm for geometry optimization in
 delocalized internal coordinates. One of the references there is to a
 suite of programs by J. Baker called OPTIMIZE, that carries out that
 particular algorithm. I could not find on the web any trace of neither
 the author, nor the computer code. I did find that it was incorporated
 in two commercial products.
 1. Does anyone has a pointer to the author of the code or the code itself?
 2. Are there free computer codes that implements that algorithm?
 3. Are there free computer codes that implement other internal
 coordinates optimization, such as redundant internal coordinates method?
 Any suggestions are greatly appreciated,
 Silviu.
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 Zilberman Silviu, PhD
 213 Frick Laboratory,
 Department of Chemistry,
 Princeton University
 Princeton, NJ 08544, USA
 phone: 609-258-1834
 fax:   609-258-6746
 silviu[at]Princeton.EDU
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