From chemistry-request $#at#$ server.ccl.net Sat May 4 01:35:00 2002 Received: from hotmail.com ([64.4.23.38]) by server.ccl.net (8.11.6/8.11.0) with ESMTP id g445Z0I15716 for ; Sat, 4 May 2002 01:35:00 -0400 Received: from mail pickup service by hotmail.com with Microsoft SMTPSVC; Fri, 3 May 2002 22:34:55 -0700 Received: from 66.31.55.25 by lw15fd.law15.hotmail.msn.com with HTTP; Sat, 04 May 2002 05:34:54 GMT X-Originating-IP: [66.31.55.25] From: "Cameron Banks" To: chemistry -A_T- ccl.net Subject: Evaluation of MO's from ab-initio calculations Date: Sat, 04 May 2002 01:34:54 -0400 Mime-Version: 1.0 Content-Type: text/plain; format=flowed Message-ID: X-OriginalArrivalTime: 04 May 2002 05:34:55.0203 (UTC) FILETIME=[6BE06330:01C1F32D] I'm looking for some code that I can use to compute orbital and density values on a grid from ab-initio (Gaussian/Gamess) calculations. I'm aware of the MOLDEN code but this is not suitable for my purpose. What I'm really after is a Gaussian CUBEGEN like program that I can use like a library. Alternatively if someone can point me to some literature I can probably cook something up. Thanks. Cameron _________________________________________________________________ Get your FREE download of MSN Explorer at http://explorer.msn.com/intl.asp.