From chemistry-request@ccl.net Fri Jan 17 04:41:17 1992 From: vancamp%banruc60.bitnet@OHSTVMA.ACS.OHIO-STATE.EDU Date: Fri, 17 Jan 92 10:37:00 +0100 To: chemistry@ccl.net Status: R Hi Netters, Does anybody know of the existence of Fortran to C transformation program. I want to convert some programs written in standard Fortran. P. Vancamp VANCAMP@BANRUC60.BITNET From chemistry-request@ccl.net Fri Jan 17 06:58:19 1992 Date: Fri, 17 Jan 92 12:46 CET To: chemistry@ccl.net From: Janusz Oleniacz Subject: FORTRAN to C coverters Status: R Hi everybody, I know about two (or maybe it is the same) converters >from FORTRAN to C: (1) in SIMTEL20 archives (of Milnet node: SIMTEL20.ARMY.MIL): F2C-EXE.ZIP F2C-SRC.ZIP That can be reached from BITNET and EARN by TRICKLE servers (send text: GET SIMTEL20 ACCESS to: HELP-NET@TEMPLEVM or text: INDEX RED-UG to: LISTSERV@TREARN.BITNET and then GET fn ft or text: /HELP to: TRICKLE@node , where node is DKTC11, TREARN, IMIPOLI, BANUFS11, AWIWUW11, DTUZDV1, HEARN ... for more details). (2) just send text: send index from f2c to: netlib@research.att.com Janusz Oleniacz, Warsaw, Poland From chemistry-request@ccl.net Fri Jan 17 11:14:27 1992 Date: Fri, 17 Jan 92 17:02:59 ITA From: Davide proserpio Subject: Optimization of Fortran Code To: CHEMISTRY@ccl.net Status: R Hi, Anybody know about programs to clean fortran code? For cleaning I means Indentation of IF blocks, reorganization of DO and format numbers, and so on, to made the code more readable. Someone told me that they are called Profiler. Anything that can help me to optimize fortran code will be very helpful. A ftp-able version will be useful. Thanks Davide Proserpio Istituto di chimica Strutturistica inorganica universita di milano Via venezian 21. 20133 Milano- Italy e.mail stinc at imisiam or stinch at imisiam.mi.cnr.it From chemistry-request@ccl.net Fri Jan 17 11:33:30 1992 Date: Fri, 17 Jan 92 08:26:15 -0800 From: rec@snll-arpagw.llnl.gov (Ray Cline) To: vancamp%banruc60.bitnet@OHSTVMA.ACS.OHIO-STATE.EDU Status: R There are two FORTRAN to C translators that I know of for unix platforms. The program f2c was available from netlib and I've been told is going to be included in a gnu package. The Cobalt Blue software company markets a FORTRAN to C/C++ translator (forc/forc++) for both unix and MS-DOS platforms. I don't have their address at my finger tips, but if requested I could forward it. Ray Raymond E. Cline, Jr. Organization 8300-A Combustion Research Facility Massively Parallel Computer Research Laboratory Sandia National Laboratories Box 969 Livermore, CA 94551 phone: (510) 294-1395 email: rec@sandia.llnl.gov FAX : (510) 294-2276 From chemistry-request@ccl.net Fri Jan 17 12:21:43 1992 Date: Fri, 17 Jan 92 12:12:44 EST From: Kevin Moore To: STINCH%IMISIAM.BITNET@OHSTVMA.ACS.OHIO-STATE.EDU Subject: Optimization of Fortran Code Status: R Date: Fri, 17 Jan 92 17:02:59 ITA From: Davide proserpio Sender: chemistry-request@ccl.net Precedence: bulk Hi, Anybody know about programs to clean fortran code? For cleaning I means Indentation of IF blocks, reorganization of DO and format numbers, and so on, to made the code more readable. Someone told me that they are called Profiler. Anything that can help me to optimize fortran code will be very helpful. A ftp-able version will be useful. Thanks Davide Proserpio Istituto di chimica Strutturistica inorganica universita di milano Via venezian 21. 20133 Milano- Italy e.mail stinc at imisiam or stinch at imisiam.mi.cnr.it ------------------------ David, The emacs editor will indent loops and if constructs for you in a more readable fashion. Unless you are wanting it to actually modify portions of the code (ie. turn goto loops into do loops, give nested loops separate continue statements, etc.), it will do just about everything you will need. It is available free from anyone who has it, or from the Free Software Foundation for a modest charge. ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ || Kevin Moore North Carolina Supercomputing Center || || Scientific Support Analyst 3021 Cornwallis Rd. || || (919) 248-1179 Research Triangle Park, NC 27709 || ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ From chemistry-request@ccl.net Fri Jan 17 15:38:05 1992 Date: Fri, 17 Jan 92 14:33:08 CST From: shepard@dirac.tcg.anl.gov (Ron Shepard) To: chemistry@ccl.net Subject: ftp access to netlib software Status: R All of the netlib software (including the f2c conversion program mentioned in a few previous messages) is now available via ftp from the server at research.att.com (also 192.20.255.2). You should login as user "netlib" and give your email address as the password. You can also login as "anonymous" in the usual manner. For those connected to the internet, this is often more convenient than the email facility: you can browse around a little more, the actual file transfer latency is smaller, and long files are not split into smaller pieces. -ron shepard shepard@tcg.anl.gov From chemistry-request@ccl.net Fri Jan 17 16:24:14 1992 Date: Fri, 17 Jan 92 11:13:13 -0800 From: rec@snll-arpagw.llnl.gov (Ray Cline) To: STINCH%IMISIAM.BITNET@OHSTVMA.ACS.OHIO-STATE.EDU Subject: Optimization of Fortran Code Status: R It turns out that Cobalt Blue has a program called for_struct that will structure fortran codes, indent IF blocks, convert from DO/CONTINUE to DO/ENDDO and rearrange FORMAT statements. It is available for SunOS, MS/DOS, and possibly others as well. Raymond E. Cline, Jr. Organization 8300-A Combustion Research Facility Massively Parallel Computer Research Laboratory Sandia National Laboratories Box 969 Livermore, CA 94551 phone: (510) 294-1395 email: rec@sandia.llnl.gov FAX : (510) 294-2276 From chemistry-request@ccl.net Fri Jan 17 17:42:10 1992 Date: Fri, 17 Jan 92 16:47:08 EST From: Michael A. Lee To: chemistry@ccl.net Subject: Tidy Status: R A request came across the mailing list for something that cleans up Fortran code. There is such a thing that has been around many years called "tidy". I have it and it does all this indentation renumber etc and it really looks nice. It has options for all of this to you can taylor it trivially. It is archived on - machine wuarchive.wustl.edu in directory archive/mirrors/msdos/fortran/tidy621.zip This file is in zip format. I do not know what zip format is but I am told that an "unzipper" is also available from this archive or you should ask someone who owns a PC. Mike Lee >From chemistry-request@ccl.net Fri Jan 17 13:15:41 1992 >Date: Fri, 17 Jan 92 12:12:44 EST >From: Kevin Moore > > Date: Fri, 17 Jan 92 17:02:59 ITA > From: Davide proserpio > Sender: chemistry-request@ccl.net > Precedence: bulk > > > Hi, Anybody know about programs to clean fortran code? > For cleaning I means Indentation of IF blocks, reorganization of DO and format > numbers, and so on, to made the code more readable. > Someone told me that they are called Profiler. > Anything that can help me to optimize fortran code will be very helpful. > A ftp-able version will be useful. > > Thanks > > Davide Proserpio > Istituto di chimica Strutturistica inorganica > universita di milano > Via venezian 21. 20133 Milano- Italy > > e.mail stinc at imisiam or stinch at imisiam.mi.cnr.it > >------------------------ >David, > The emacs editor will indent loops and if constructs for you in a more >readable fashion. Unless you are wanting it to actually modify >portions of the code (ie. turn goto loops into do loops, give nested >loops separate continue statements, etc.), it will do just about everything >you will need. It is available free from anyone who has it, or from the >Free Software Foundation for a modest charge. > >++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ >|| Kevin Moore North Carolina Supercomputing Center || >|| Scientific Support Analyst 3021 Cornwallis Rd. || >|| (919) 248-1179 Research Triangle Park, NC 27709 || >++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ > From chemistry-request@ccl.net Fri Jan 17 19:41:57 1992 Date: Fri, 17 Jan 92 19:28:42 -0500 From: bbesler@ouchem.chem.oakland.edu (Brent H. Besler) To: chemistry@ccl.net Subject: Which is the latest Ampac Status: R What is the latest version of Ampac? From chemistry-request@ccl.net Fri Jan 17 20:58:31 1992 Date: Fri, 17 Jan 92 19:52:21 EST From: "FOUNTAIN, KEN" To: Subject: N-O Bond lengths Status: R Dear Netters: I am in need of data on N-O bond lengths for calibrating some semi-emperical calculations. Experimental bond lengths would be good, but I will take high quality ab initio ones too. Does anyone know of sytematic studies? I prefer saturated systems, like H2NOH, in a variety of conformational and charge situations. Thanxs sincerely for any help you can give, K.R.Fountain/sc18@NEMOMUS