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Using main part «files», ar-HRT-1 always saves its results in a platform-dependent binary format. In order to be able to access the data, you need a program sharing that same main part «files» and compiled with the same compiler on the same platform. One suitable such program is provided as the arfg application «iso2ascii» (file util.arfg/iso2ascii.arfg).
Usually you will compile the program as the last step of the installation process. Compilation is analogous to the usual compilation process of ar-HRT-1 but somewhat simpler due to the lack of alternative main part implementations. Change to directory util.arfg, and make sure that .compile-time-parameters does not define `__quiet__'; issuing, e. g.,
make program
should build the following files:
Due to the lack of support for command line arguments in the current Fortran standard [35] it is more convenient to use the wrapper scripts util.arfg/hrt.ascii and util.arfg/hrt.mma instead.
Calling these scripts with the option --help prints a short summary of the available options and syntax. Otherwise, the first command line argument must be the name of the file to be read; if you want to access the general (i. e., density-independent) informaton stored in the file, use option --head next; the remaining arguments are interpreted as patterns for the documentation strings of the stored data. These patterns match if the given string is a substring of the documentation string, with a caret (^) and a dollar sign ($) additionally matching the beginning and end, respectively, of the documentation string.
Thus, e. g.,
util.arfg/hrt.ascii file --head ^rho kapp
will dump the general information (--head) stored in file, followed by a list of the densities and inverse compressibilities for all the densities where a solution was generated and saved. Note that substituting rho for ^rho yields a list of all fields the documentation strings of which contain the string rho. In order to find out about the strings embedded in a binary file, the standard Unix command strings can be used.
util.arfg/ar-Phase is a Perl script for repeatedly calling ar-HRT-1 to calculate a set of isotherms and report on the results so obtained; use util.arfg/ar-Phase --help to get a short summary of all the options provided.
This script is particularly useful for looking for the critical temperature of a system (option --locate) or for calculating several isotherms in a given β = 1/kB T interval (options --cover, --sub, and --super). Note, however, that there is no built-in heuristics for determining whether a given isotherm is to be considered converged; instead, any isotherm that does not contain negative compressibilities is taken to be converged. For the criterion for locating the binodal see [17, 19].
The script util.arfg/hrt.ascii is looked for in the same directory where ar-Phase itself is stored; using links is thus likely to break the script.
Also note that the script expects the options files to be set up as shown in the installation instructions.
util.arfg/hrt.phase-mma can be used to generate Mathematica expressions summarizing phase coexistence data. Note that the script ar-Phase is looked for in the same directory where util.arfg/hrt.phase-mma itself is stored; using links is thus likely to break the script.
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Copyright © 2002 by Albert REINER. All rights reserved.
URL: http://purl.oclc.org/NET/ar-hrt-1/current/utils.html
URL: http://purl.oclc.org/NET/ar-hrt-1/4.20020721b/utils.html
2002-07-20 16:31:23