G92. Two forthcoming summaries
Dear netters,
I have recently posted two questions
(in chronological order):
1. About extraction of core energies
and, possibly, of two-electron repulsion
integrals from G92;
2. About batch queue control
when mixing G92 with some "my_code"
both under VMS and under UNIX.
First question attracted replies
from only one person - Alberto Gobbi,
and his advice about core energies
worked perfectly. Many many thanks to him.
I am checking his other advices.
That'll be finished in a day or two.
And the summary about question 1
will be posted.
Second question attracted a lot of replies,
showing thus far that the question is of real
interest. Thanks so much !
The spectrum of advices is really
very wide. It's a tough task to check them all,
but I'll try -- give me a week please for that.
Summary will be posted.
Sincerely,
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Aiaz BAKASSOV (English: Ayaz BAKASOV) | Phone: +41 1
632 79 18
Laboratorium fuer Phys. Chemie | FAX: +41 1
632 10 21
ETH-Zuerich (Zentrum) | E-mail:
aiba-: at :-debye.vmsmail.ethz.ch
CH-8092 Zurich, Switzerland |
aiba-: at :-ir.lpc.ethz.ch
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