From chemistry-request@ccl.net Wed Jun 15 10:11:34 2005 Received: from distrib2.mail.u-psud.fr (distrib2.mail.u-psud.fr [129.175.34.154]) by server.ccl.net (8.13.1/8.13.1) with ESMTP id j5FEBOKH017858 for ; Wed, 15 Jun 2005 10:11:26 -0400 Received: from intfiltre2.mail.u-psud.fr (intfiltre2.mail.u-psud.fr [129.175.34.150]) by distrib2.mail.u-psud.fr (8.12.10/8.12.0.Beta10) with ESMTP id j5FALqC5009205 for ; Wed, 15 Jun 2005 12:21:52 +0200 Received: from upsn240.cri.u-psud.fr (upsn240.cri.u-psud.fr [129.175.34.240]) by intfiltre2.mail.u-psud.fr (8.12.10/8.12.0.Beta10) with ESMTP id j5FAKSJi007929 for ; Wed, 15 Jun 2005 12:21:50 +0200 Received: from ext.lcp.u-psud.fr (ext.lcp.u-psud.fr [129.175.100.5]) by upsn240.cri.u-psud.fr (8.12.10/8.12.0.Beta10) with ESMTP id j5FAJPVZ004779 for ; Wed, 15 Jun 2005 12:19:25 +0200 Received: from lcp.u-psud.fr (pc7.lcp.u-psud.fr [129.175.101.37]) by ext.lcp.u-psud.fr (8.13.1/8.13.1) with ESMTP id j5FAJSuI028523 for ; Wed, 15 Jun 2005 12:19:28 +0200 Message-ID: <42B000AF.4030802 _()_ lcp.u-psud.fr> Date: Wed, 15 Jun 2005 12:19:27 +0200 From: Pierre Archirel User-Agent: Mozilla/5.0 (X11; U; Linux i686; fr; rv:1.4.1) Gecko/20031114 X-Accept-Language: fr, en MIME-Version: 1.0 To: chemistry _()_ ccl.net Subject: CCL: how to print overlap Content-Type: text/plain; charset=ISO-8859-1; format=flowed Content-Transfer-Encoding: 8bit X-Scanned: by amavis X-Spam-Status: No, score=0.0 required=5.0 tests=none autolearn=failed version=3.0.3 X-Spam-Checker-Version: SpamAssassin 3.0.3 (2005-04-27) on server.ccl.net Overlap can be printed but most programs, provided the right print flag is given: for Gaussian (98, at least): iop(3/33=1) for Gamess UK: nprint=3 Best wishes __________________________________________________________ Pierre Archirel Groupe de Chimie Thiorique Laboratoire de Chimie Physique Tel: 01 69 15 63 86 Bat 349 Fax: 01 69 15 61 88 91405 Orsay Cedex France pierre.archirel _+_ lcp.u-psud.fr __________________________________________________________