From chemistry-request@ccl.net Thu Feb 14 01:42:28 1991 Date: Thu, 14 Feb 91 03:31:49 GMT From: jle@stardent.com Status: R The 1991 great AVS module hunt!!! I'm interested in learning of anybody on this forum that has written a module for AVS (Computational Chem. preferred, but I'll take anything). This includes folks using AVS on DEC, Convex, E&S, FPS, SET, Tektronix (well, somebody might be using one...), Cray, Stardent or anybody else. If you HAVE done a module, could you let me know: (a) What does it do? (b) What language is it written in? (c) Are you willing/able to/interested in distributing it? (d) Are you interested in learning of others doing AVS development? (e) Will you ever do it again? If there's sufficient responses, I'll summarize for the forum. As you might guess, I have an ulterior motive - I want to find out who's using AVS, who's interested in using AVS and what they want to do/have done with it. I have lots of ideas on where to go with the product, along with lots of rumors as to what's out there, but would greatly prefer FACILITATING to CODING... Before anybody reaches for the kerosene, let me point out that there will be a mechanism for AVS module distribution similar to QCPE, but if nobody knows what's been done, how can it be "stocked"? Joe Leonard Computational Chemist Stardent Computer jle@Stardent.COM (508) 369-7666 x529 P.S. I guess this shows I'm brave/stupid enough to post again after the uh... discussion I kicked up last time. This is intended to be a multi-vendor, multi-platform search, and I expect that any information that comes from this would be of interest in researchers involved in Scientific Visualization (developers, too!). --- From chemistry-request@ccl.net Thu Feb 14 06:02:23 1991 Date: 14 Feb 91 11:40 +0100 From: Reinhard Doelz Subject: GAUSSIAN experience wanted To: chemistry@ccl.net Status: R I am interested on GAUSSIAN 90 on a department computer we would like to install. I am interested in hearing experience on typical configurations, price about 100K$. Regards Reinhard ================== ************************************************************************ Dr. Reinhard Doelz * EAN doelz@urz.unibas.ch Biocomputing * DECNET 48130::doelz Biozentrum der Universitaet * X25 psi%46211142::embnet Klingelbergstrasse 70 * FAX x41 61 256760 CH 4056 Basel * TEL x41 61 253880 ext 888 ************************************************************************ --- From chemistry-request@ccl.net Thu Feb 14 17:28:59 1991 Date: Thu, 14 Feb 91 17:18:11 EST From: pepper@sws.mps.ohio-state.EDU Subject: postdoctoral position in inorganic quantum chemistry To: chemistry@ccl.net Status: R POSTDOCTORAL POSITION Inorganic Quantum Chemistry I anticipate a postdoctoral position in my group, starting in mid-summer, 1991. Our research is in the electronic structure of large inorganic and organometallic complexes of the transition metals and actinide elements. This position, which is funded via a grant from the Department of Energy, will involve molecular electronic structure calculations on models of synthetically interesting actinide-containing molecules. Relativistic versions of ab initio and local density functional codes are currently used on this project. Our computing is carried out on the Cray Y-MP at the Ohio Supercomputer Center and on a DECstation 3100 RISC workstation. Experience with ab initio and/or LDF programs is highly desirable, as is knowledge of UNICOS, ULTRIX, or other UNIX operating systems. Any experience as System Administrator for a workstation will also be a major asset. Please direct inquiries to: Professor Bruce E. Bursten Department of Chemistry The Ohio State University 120 W. 18th Avenue Columbus, OH 43210 Phone: (614) 292-1866 FAX: (614) 292-1685 E-mail: bursten.1@osu.edu or bruce@sws.mps.ohio-state.edu ---