OSIPE - A TOOL FOR SCIENTIFIC PROGRAMMING IN FORTRAN

Citation
F. Colonna et al., OSIPE - A TOOL FOR SCIENTIFIC PROGRAMMING IN FORTRAN, Computer physics communications, 81(3), 1994, pp. 293-317
Citations number
13
Categorie Soggetti
Mathematical Method, Physical Science","Physycs, Mathematical","Computer Science Interdisciplinary Applications
ISSN journal
00104655
Volume
81
Issue
3
Year of publication
1994
Pages
293 - 317
Database
ISI
SICI code
0010-4655(1994)81:3<293:O-ATFS>2.0.ZU;2-X
Abstract
FORTRAN tools have been designed to support well-structured, modular, route-independent and easily interfaceable programming. This set of to ols, which creates a kind of low-level object-oriented programming env ironment, is refered to as OSIPE (Open Structured Interfaceable Progra mming Environment). Its main role is to transform meaningful FORTRAN v ariables into Objects which are linked via ''created-by'' relationship s. Two programs, written in the OSIPE environment, an ab initio electr onic structure code, MUNGAUSS, and a novel implementation of a quantum chemical solvent effect theory, SOLVENT, are briefly described. Effic ient tools are provided to restructure existing FORTRAN codes and make them compatible with the OSIPE environment.