From chemistry-request@server.ccl.net Tue Feb 1 14:40:14 2000 Received: from mailbox.syr.edu (root@mailbox.syr.edu [128.230.18.5]) by server.ccl.net (8.8.7/8.8.7) with ESMTP id OAA20463 for ; Tue, 1 Feb 2000 14:40:14 -0500 Received: from syr.edu (curie.syr.edu [128.230.187.116]) by mailbox.syr.edu (8.9.2/8.9.2) with ESMTP id NAA08159; Tue, 1 Feb 2000 13:35:13 -0500 (EST) Sender: desingh@mailbox.syr.edu Message-ID: <38972886.C3AB2DE5@syr.edu> Date: Tue, 01 Feb 2000 13:40:06 -0500 From: Deepak Singh Organization: Birge Group, Dept. Of Chemistry, Syracuse Univ. X-Mailer: Mozilla 4.61C-SGI [en] (X11; I; IRIX64 6.5 IP30) X-Accept-Language: en MIME-Version: 1.0 To: "Richard P. Muller" CC: chemistry@ccl.net Subject: Re: CCL:Semi-empirical methods References: <2616231.949396724705.JavaMail.imail@doby.excite.com> <3896B74E.8D8BEA06@attglobal.net> <38970CDB.48D85F8F@wag.caltech.edu> Content-Type: text/plain; charset=iso-8859-15 Content-Transfer-Encoding: 7bit MOPAC97, mopac6, mopac 7. All open source and the latter two are free. Mopac97 is relatively inexpensive when bought as part of winmopac from fujitsu. The source code is available in all cases. Deepak. "Richard P. Muller" wrote: > Along the lines of this thread... > > Is there an open-source AM1 or PM3 program available? I've been working > on divide-and-conquer type approaches to linear scaling quantum > chemistry. I'd like to release the results of my work to the general > community, but it's only CNDO, and I don't feel that this would be > helpful to anyone (in particular I'd like to get forces done). However, > if there is a simple AM1 code available, I'd be glad to put my D&C code > into this. > > My goal is to get DFT working in the next couple of months, but that > will require a bit more work. > > Happy computing, > > Rick > -- > Richard P. Muller, Ph.D. > rpm@wag.caltech.edu > http://www.wag.caltech.edu/home/rpm > > -= This is automatically added to each message by mailing script =- > CHEMISTRY@ccl.net -- To Everybody | CHEMISTRY-REQUEST@ccl.net -- To Admins > MAILSERV@ccl.net -- HELP CHEMISTRY or HELP SEARCH > CHEMISTRY-SEARCH@ccl.net -- archive search | Gopher: gopher.ccl.net 70 > Ftp: ftp.ccl.net | WWW: http://www.ccl.net/chemistry/ | Jan: jkl@ccl.net -- ********************************************************************** Deepak Singh Tel : (315)443 1739 (w) Graduate Student (315)472 9659 (h) Dept. of Chemistry Fax : (315)443 4070 Syracuse University email : desingh@syr.edu 1-014 CST, Syracuse URL : http://web.syr.edu/~desingh NY 13244 "Violence is the last refuge of the incompetent." --- Salvor Hardin **********************************************************************