external use of FILE 1
Andreas Hesselmann
andreas at theochem.uni-duesseldorf.de
Tue Aug 29 20:30:17 BST 2000
Hello everybody!
I need the one- and two-electron integrals from
Molpros FILE 1 (main file) in an external program.
Of course I could also export the records 1210 and
1300 but I have to take care of my disk space.
Does anybody know how one can read in the integrals?
Thanks for your attention,
Andreas Hesselmann
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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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