From g-recht@chem.nwu.edu Sun Mar 2 01:26:29 1997 Received: from mercury.chem.nwu.edu for g-recht@chem.nwu.edu by www.ccl.net (8.8.3/950822.1) id AAA04189; Sun, 2 Mar 1997 00:45:39 -0500 (EST) Received: from aragorn206.nuts.nwu.edu by mercury.chem.nwu.edu (AIX 3.2/UCB 5.64/4.03) id AA20770; Sat, 1 Mar 1997 23:45:32 -0600 Message-Id: <3.0.16.19970301234903.2dff0e1c@mercury.chem.nwu.edu> X-Sender: g-recht@mercury.chem.nwu.edu X-Mailer: Windows Eudora Pro Version 3.0 (16) Date: Sat, 01 Mar 1997 23:49:05 -0600 To: chemistry@www.ccl.net From: greg rechtsteiner Subject: monte carlo simulation Mime-Version: 1.0 Content-Type: text/plain; charset="us-ascii" Hello: I am currently working on a Fortran based Monte Carlo program involving a two-dimensional hard disk liquid system. I am trying to calculate the radial distribution function g(r) as a function of density, etc. However, my code keeps crashing. Does anyone know of any examples? I have located several articles (Metropolis, Wood, etc.), but I have not been able to locate any example code that might help me locate my bug. Thank you for your assistance, Greg From kotelyan@plmsc.psu.edu Sun Mar 2 12:26:35 1997 Received: from plmsc.psu.edu for kotelyan@plmsc.psu.edu by www.ccl.net (8.8.3/950822.1) id MAA05569; Sun, 2 Mar 1997 12:11:02 -0500 (EST) Received: (from kotelyan@localhost) by plmsc.psu.edu (8.8.2/8.8.2) id MAA00643; Sun, 2 Mar 1997 12:10:51 -0500 (EST) Date: Sun, 2 Mar 1997 12:10:50 -0500 (EST) From: Mike Kotelyanskii To: greg rechtsteiner cc: chemistry@www.ccl.net Subject: Re: CCL:monte carlo simulation In-Reply-To: <3.0.16.19970301234903.2dff0e1c@mercury.chem.nwu.edu> Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII Check a book by M.P.Allen and D.J.Tildesley, "COmputer simulation of liquids" They have a sam[ple programs on floppies, but they can also be found on the internet, I think CCP5 site in UK has them MIke ------------------------------------------------------------------------------- Michael J. Kotelyanskii Phone (814) 863 43 81 Polymer Science Program FAX (814) 865 29 17 Department of Materials Science and Engineering kotelyan@plmsc.psu.edu Pennsilvania State University University Park, PA 16802, USA -------------------------------------------------------------------------------- On Sat, 1 Mar 1997, greg rechtsteiner wrote: > Hello: > > I am currently working on a Fortran based Monte Carlo > program involving a two-dimensional hard disk liquid system. > I am trying to calculate the radial distribution function > g(r) as a function of density, etc. However, my code keeps > crashing. Does anyone know of any examples? I have located > several articles (Metropolis, Wood, etc.), but I have > not been able to locate any example code that might help > me locate my bug. > > Thank you for your assistance, > > Greg > > > -------This is added Automatically by the Software-------- > -- Original Sender Envelope Address: g-recht@chem.nwu.edu > -- Original Sender From: Address: g-recht@chem.nwu.edu > CHEMISTRY@www.ccl.net: Everybody | CHEMISTRY-REQUEST@www.ccl.net: Coordinator > MAILSERV@www.ccl.net: HELP CHEMISTRY or HELP SEARCH | Gopher: www.ccl.net 73 > Anon. ftp: www.ccl.net | CHEMISTRY-SEARCH@www.ccl.net -- archive search > Web: http://www.ccl.net/chemistry.html > > From maiden@RedBrick.DCU.IE Sun Mar 2 13:26:35 1997 Received: from tolka.dcu.ie for maiden@RedBrick.DCU.IE by www.ccl.net (8.8.3/950822.1) id MAA05643; Sun, 2 Mar 1997 12:40:46 -0500 (EST) Received: from Nurse.RedBrick.DCU.IE by tolka.dcu.ie; (5.65v3.2/1.1.8.2/14Feb96-0535PM) id AA24357; Sun, 2 Mar 1997 17:40:22 GMT Received: (from maiden@localhost) by RedBrick.DCU.IE (SomeMTA) id RAA16298; Sun, 2 Mar 1997 17:38:27 GMT Organisation: DCU Networking Society X-Disclaimer: The DCUNS is not responsible for the content of this message Date: Sun, 2 Mar 1997 17:38:27 +0000 (GMT) From: "Mick the imp (not my account!)" To: chemistry@www.ccl.net Subject: "zmatrix...query" - summary Message-Id: Mime-Version: 1.0 Content-Type: MULTIPART/MIXED; BOUNDARY="0-1878704646-857324307=:16107" This message is in MIME format. The first part should be readable text, while the remaining parts are likely unreadable without MIME-aware tools. 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