Bug in property program
Andreas Hesselmann
andreas at theochem.uni-duesseldorf.de
Tue Oct 15 21:19:27 BST 2002
Hello,
in case of (I admit) two rare circumstances:
a) a large exponent in the gausssian function
b) the location of the property needed is far away from the molecule
(or the centre of the gaussian functions)
an integer overflow appears in 'formgn'.
Andreas
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Andreas Hesselmann
Institut fuer Theoretische Chemie
Heinrich-Heine Universitaet
Universitaetsstrasse 1 / 40225 Duesseldorf
Phone: +49-211 / 8111439
Fax: +49-211 / 8113466
E-Mail: andreas at theochem.uni-duesseldorf.de
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