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GU: learning GAMESS source
Dear,
I would very much like to 'learn' the GAMESS source code. I am into
quantum chemistry, but like the largest part of people doing calculations
I have thusfar been occupied primarily with doing calculations using some
other man's programs. As such, I know a fair part of the theory behind
the practice of quantum chemical calculations, but have little experience
in the art of programming the theory.
I would like to know how you would advice me how to 'learn' GAMESS. I am
not (yet) interested in e.g. CI, MSSCF, TCGMSG parallel routines (that is
: not interested in knowing the source). I would like to use GAMESS in my
doctoral thesis to show how a 'real' (= none-blackbox) SCF level geometry
optimization works.
Thanks,
Patrick
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Patrick Bultinck Macrocycles Quantum Chemical
Ph. D. Student Calculations
Dept. Inorganic & Physical Chemistry
University of Ghent Tel. Int'l code/32/9/264.44.44
Krijgslaan 281 (S-3) Fax. Int'l code/32/9/264.49.83
9000 Gent E-mail : Patrick.Bultinck@rug.ac.be
Belgium http://allserv.rug.ac.be/~pbultink/
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