[ previous ] [ contents ] [ next ]

General information

HRT for simple one-component fluids

The Hierarchical Reference Theory of Fluids (HRT) pioneered by Parola and Reatto [1, 2, 3, 4, 5, 6, 8, 9, 15, 20, 21, 22] is a realization of renormalization group theoretical ideas in the framework of a classical integral-equation approach to fluid structure and thermodynamics. This is achieved by introducing a momentum-space cut-off Q and implementing the suppression of long-wavelength fluctuations by means of a series of renormalized Q-dependent interaction potentials.

The most comprehensive report on HRT is the review article [1] published in 1995 with its host of further references; the theory was first developed in [1, 2, 3, 5, 6, 9] and has been applied successfully to various physical systems ranging from a lattice gas or Ising model [21] to various one-component fluids [4, 5, 15, 24] even including three-body interactions [13, 22], internal degrees of freedom [25] or non-hard-core reference systems [12] and with alternative cut-off procedures [9]; most of the current interest lies with binary systems [7, 12, 23]; recently, the formalism has also been generalized to the quantum case [10], and it has been used to derive effective Hamiltonians from a microscopic interaction [11].

The main points as far as they concern ar-HRT-1 are summarized in [17].

The ar-HRT-1 program

ar-HRT-1 is a novel implementation of HRT for simple one-component fluids, presenting the user with a means of solving the HRT partial differential equation in an iterated full approximation scheme. Written in the simple meta-language arfg, it combines many of the well-known advantages of literate programing [36] with Fortran 90's raw speed and the full modularity necessary for assessing the numerical results [17, 18, 19].

A detailed discussion of the program as well as of its limitations can be found in [19] and will not be replicated here. Another source of information on ar-HRT-1 is its description in [17]; the latter is supplemented by considerations of HRT's numerical side in [18].

Author and license

ar-HRT-1 was written by Albert REINER. It is free software, released under the terms and conditions of the GNU General Public License (see file COPYING in the distribution).

The name of the game

The program's name, ar-HRT-1, consists of its author's initials (ar) and the usual abbreviation for the theory's name (HRT); the appended number 1 indicates that only one-component systems are considered.

Versions of ar-HRT-1

Versions of ar-HRT-1 prior to version 4 will not be made available publicly; a short discussion of their main characteristics can be found in appendix B of [19]. Similarly, the downloadable archives do not contain each and every main part version but only those suited for general use.

The version numbering scheme comprises a major version number, a release version number, and a documentation version string. Major versions differ by large-scale changes to the program structure and code as well as by serious incompatibilities; the release version number basically codes a date close to the day of release and reflects (largely compatible) changes to the code base; and a change to the documentation version number string, actually a base-26 integer coded with alphabetical characters instead of digits, reflects updates to the documentation only.

[ previous ] [ contents ] [ next ]

Copyright © 2002-2003 by Albert REINER. All rights reserved.

URL: http://purl.oclc.org/NET/ar-hrt-1/current/about.html

URL: http://purl.oclc.org/NET/ar-hrt-1/5.20030128a/about.html

2003-01-28 16:18:23