From owner-nwchem-users@emsl.pnl.gov Thu Feb 7 13:47:46 2008 Received: from odyssey.emsl.pnl.gov (localhost [127.0.0.1]) by odyssey.emsl.pnl.gov (8.14.1/8.14.1) with ESMTP id m17LljV4023393 for ; Thu, 7 Feb 2008 13:47:46 -0800 (PST) Received: (from majordom@localhost) by odyssey.emsl.pnl.gov (8.14.1/8.14.1/Submit) id m17LljFg023392 for nwchem-users-outgoing-0915; Thu, 7 Feb 2008 13:47:45 -0800 (PST) X-Authentication-Warning: odyssey.emsl.pnl.gov: majordom set sender to owner-nwchem-users@emsl.pnl.gov using -f X-IronPort-AV: E=Sophos;i="4.25,317,1199692800"; d="scan'208";a="43352642" X-MimeOLE: Produced By Microsoft Exchange V6.5 Content-class: urn:content-classes:message MIME-Version: 1.0 Content-Type: text/plain; charset="US-ASCII" Content-Transfer-Encoding: quoted-printable Subject: RE: [NWCHEM] About DFT-SAPT Date: Thu, 7 Feb 2008 13:47:42 -0800 Message-ID: <1692FA5FE0EBFD40B2B4097DAFEA887C03290F25@EMAIL02.pnl.gov> In-Reply-To: <932906.42091.qm@web57615.mail.re1.yahoo.com> X-MS-Has-Attach: X-MS-TNEF-Correlator: Thread-Topic: [NWCHEM] About DFT-SAPT Thread-Index: Achppi+aFMRDOHKzTzyLHnT86iHtFgALNrig References: <932906.42091.qm@web57615.mail.re1.yahoo.com> From: "DeJong, Wibe A" To: "Francesco Pietra" , "users nwchem" X-OriginalArrivalTime: 07 Feb 2008 21:47:43.0309 (UTC) FILETIME=[11864FD0:01C869D3] Sender: owner-nwchem-users@emsl.pnl.gov Precedence: bulk Dear Francesco, We have currently no plans to implement the SAPT(DFT) methodology. Various codes have been interfaced, and we may pursue interfacing with sapt2006 if staff time and funding is available. With kind regards,=20 Bert de Jong, Ph.D. Chief Scientist Capability Steward NWChem High Performance Software Development Environmental Molecular Science Laboratory Pacific Northwest National Laboratory P.O. Box 999, Mail Stop K8-91 Richland, WA 99352 Phone: (509) 371-6476 Email: bert.dejong@pnl.gov Fax: (509) 371-6445 Room: EMSL 1371 Web: http://mscf.emsl.pnl.gov -----Original Message----- From: owner-nwchem-developers@emsl.pnl.gov [mailto:owner-nwchem-developers@emsl.pnl.gov] On Behalf Of Francesco Pietra Sent: Thursday, February 07, 2008 8:15 AM To: users nwchem Subject: [NWCHEM] About DFT-SAPT May I asf if there is any plan to implement DFT-symmetry-adapted intermolecular perturbation theory (DFT-SAPT) into NWchem? Thanks francesco pietra =20 ________________________________________________________________________ ____________ Never miss a thing. Make Yahoo your home page.=20 http://www.yahoo.com/r/hs