From f537pudm@mbox.tu-graz.ac.at Tue Jun 25 07:56:20 1996 Received: from mbox.tu-graz.ac.at for f537pudm@mbox.tu-graz.ac.at by www.ccl.net (8.7.5/950822.1) id HAA18200; Tue, 25 Jun 1996 07:22:00 -0400 (EDT) Received: from fchtapc11 (fchtapc11.tu-graz.ac.at) by mbox.tu-graz.ac.at with SMTP id AA03091 (5.67c/IDA-1.5t for ); Tue, 25 Jun 1996 13:22:24 +0200 Message-Id: <199606251122.AA03091@mbox.tu-graz.ac.at> Comments: Authenticated sender is From: "Guenter Pudmich" To: CHEMISTRY@www.ccl.net Date: Tue, 25 Jun 1996 13:24:56 +0000 Subject: Re: graph to table software Priority: normal X-Mailer: Pegasus Mail for Windows (v2.23) >hi, > does anybody know of a software package (public domain) >that converts graphs to tables? Windig is a free data digitizer with a convenient user interface working under windows 3.1. It imports common graphic formats and works with twain compatible scanners. Search it under "/cica/win3/desktop/windig20.zip" (or similar) on your next ftp-server. Best regards, Guenter Guenter Pudmich f537pudm@mbox.tu-graz.ac.at Institute of Chemical Technology of Inorganic Materials Technical University of Graz Tel. +43 316 873 8293 Fax +43 316 873 8769 From irikura@ENH.NIST.GOV Tue Jun 25 09:56:21 1996 Received: from ENH.NIST.GOV for irikura@ENH.NIST.GOV by www.ccl.net (8.7.5/950822.1) id JAA18705; Tue, 25 Jun 1996 09:22:11 -0400 (EDT) Received: from h178075 (h178075.nist.gov) by ENH.NIST.GOV (PMDF V5.0-5 #10952) id <01I6BK3BRNDS00BPU5@ENH.NIST.GOV>; Tue, 25 Jun 1996 09:23:05 -0400 (EDT) Date: Tue, 25 Jun 1996 09:21:30 -0400 From: Karl Irikura Subject: free program to convert stick spectrum to gaussians or lorentzians X-Sender: irikura@enh.nist.gov To: chemistry@www.ccl.net Cc: smillefiori@dipchi.unict.it Message-id: <01I6BK3BXJKY00BPU5@ENH.NIST.GOV> MIME-version: 1.0 X-Mailer: Windows Eudora Version 2.1.1 Content-type: text/plain; charset="us-ascii" Content-transfer-encoding: 7BIT This small program is intended to convert the "stick" spectra produced by computational methods into synthetic spectra with realistic linewidths. No graphics is produced, just a file of (x,y) points that must be plotted using some other means. A sample input file is included in the zip file SYNSPEC. Interactive user input is 1. The desired peakshape (0=gaussian, 1=lorentzian) 2. The linewidth (in whatever units are used in SYNSPEC.INP) 3. The energy (or wavelength) range to calculate in the simulated spectrum 4. The desired interval between successive points The program has been upload to CCL in the directory /pub/chemistry/software/MS-DOS/synthetic-spectrum i.e., you can retrieve it as: ftp://www.ccl.net/pub/chemistry/software/MS-DOS/synthetic-spectrum or gopher://www.ccl.net:73/11/software/MS-DOS/synthetic-spectrum or get there view CCL Web page: http://www.ccl.net/chemisty.html Thanks to Jan L. for his help! Karl I. ---------------------------------------------- Dr. Karl K. Irikura Physical and Chemical Properties Division National Institute of Standards and Technology Gaithersburg, MD 20899 voice: 301-975-2510 fax: 301-975-3670 e-mail: irikura@enh.nist.gov ---------------------------------------------- From owner-chemistry@ccl.net Tue Jun 25 09:56:26 1996 Received: from bedrock.ccl.net for owner-chemistry@ccl.net by www.ccl.net (8.7.5/950822.1) id JAA18691; Tue, 25 Jun 1996 09:14:57 -0400 (EDT) Received: from theory.tc.cornell.edu for jeanne@tc.cornell.edu by bedrock.ccl.net (8.7.5/950822.1) id JAA19313; Tue, 25 Jun 1996 09:14:56 -0400 (EDT) Received: from [128.84.181.75] (JEANNE.TC.CORNELL.EDU [128.84.181.75]) by theory.tc.cornell.edu (8.6.9/8.6.6) with SMTP id IAA56010; Tue, 25 Jun 1996 08:36:10 -0400 Date: Tue, 25 Jun 1996 08:36:10 -0400 Message-Id: Mime-Version: 1.0 Content-Type: text/plain; charset="us-ascii" To: jeanne@TC.Cornell.EDU From: jeanne@TC.Cornell.EDU (Jeanne C. Butler) Subject: Workshop on Parallel Programming on the IBM RS/6000 SP Cc: reynolds@TC.Cornell.EDU Workshop on Parallel Programming on the IBM RS/6000 SP Sunday September 29 - Friday October 4, 1996 Cornell Theory Center Cornell University Ithaca, NY The Cornell Theory Center (CTC), a nationally funded high-performance computing and communications center, is offering a one-week workshop, including lectures and laboratory sessions, on parallel programming for the IBM SP. CTC's IBM SP, which consists of 512 RISC processors connected by a high-performance switch, is the largest of its kind in the world. The SP programming model is distributed memory. This workshop will offer sessions on the following topics: - CTC Essentials: What programmers need to know about CTC's IBM SP system configuration and administration. - Using CTC's IBM SP Effectively: How to design and code programs that make the best use of the IBM SP's features. - The Message Passing Interface (MPI) Standard Library: How to write parallel programs using this message passing standard. - Parallelization Case Study using MPI and High Performance Fortran (HPF): A step-by-step presentation of converting a serial program to a parallel program, and tuning its performance. All topics will be presented using a mix of lectures and programming exercises, giving participants hands-on experience with parallel programming. A full description of the topics, as well as the preliminary agenda and registration form, is available online at: http://www.tc.cornell.edu/Events/SP.Oct96/ (All trade names referenced are trademarks or registered trademarks of their respective companies.) REGISTRATION INFORMATION To apply, please complete the registration form found at: http://www.tc.cornell.edu/Events/SP.Oct96/ Send payment separately to arrive no later than August 16, 1996, to: Jeanne Butler Conference Assistant 427 Frank H. T. Rhodes Hall Ithaca, NY 14853-3801 FEES: Academic & Government Participants Half Day: $ 25* Full Day: $ 50 Full Workshop: $ 250 Corporate Participants Half Day: $ 110* Full Day: $ 225 Full Workshop: $ 995 Corporate Partnership Program Members Half Day: $ 85* Full Day: $ 175 Full Workshop: $ 745 *Sunday afternoon and Friday morning are half-day sessions. Checks should be made payable to Cornell University. Local applicants may charge the registration fee to the appropriate Cornell University account number. Registrations will not be acted upon until the payment arrives. Refunds will be made to those applicants not accepted to the workshop. Refunds cannot be made after an applicant is accepted. Course attendance is limited. Preference will be given to those who have already received a CTC allocation, to Corporate Partnership Program (CPP) members, and to those who have a CTC allocation application pending. It might be necessary to limit the number of attendees from any one research project. OTHER TRAINING OPPORTUNITIES Applicants should also be aware that CTC will be offering a Virtual Workshop (VW) over the winter months. This VW will offer World Wide Web versions of some of the material covered in this workshop, and it will include interactive logins on CTC's IBM SP for completion of exercises. CTC staff members offer consulting support to the VW participants through e-mail and through the CTC MOO. More information on this offering can be found at: http://www/Edu/VW/future.html For general information on current and future CTC workshops, go to: http://www.tc.cornell.edu/Edu/Upcoming/ From tj@eecs.uic.edu Tue Jun 25 12:56:24 1996 Received: from mail.eecs.uic.edu for tj@eecs.uic.edu by www.ccl.net (8.7.5/950822.1) id MAA20228; Tue, 25 Jun 1996 12:32:01 -0400 (EDT) Received: from ernie.eecs.uic.edu (tj@ernie.eecs.uic.edu [128.248.176.24]) by mail.eecs.uic.edu (8.7.5/8.7.5) with ESMTP id LAA24508 for ; Tue, 25 Jun 1996 11:32:00 -0500 (CDT) From: tj ODonnell Received: (tj@localhost) by ernie.eecs.uic.edu (8.6.10/8.6.10) id LAA29901 for chemistry@www.ccl.net; Tue, 25 Jun 1996 11:31:58 -0500 Message-Id: <199606251631.LAA29901@ernie.eecs.uic.edu> Subject: PS390 free to a good home To: chemistry@www.ccl.net (CCL) Date: Tue, 25 Jun 1996 11:31:57 -0500 (CDT) X-Mailer: ELM [version 2.4 PL23] MIME-Version: 1.0 Content-Type: text/plain; charset=US-ASCII Content-Transfer-Encoding: 7bit There is an Evans & Sutherland PS390 graphics system available FREE from Searle, located in the Chicago area. If you can come get it, its yours! If you have questions, please address them to: Dale Spangler spangler@searle.monsanto.com