Colonna, Francois; Jolly, Luc-Henri; Poirier, Raymond A.; Angyan, Janos G.; Jansen, Georg:
OSIPE - a tool for scientific programming in FORTRAN.
1994
In: Computer Physics Communications (Comput.Phys.Commun.), Jg. 81 (1994), Heft 3, S. 293 - 317
Artikel/Aufsatz in Zeitschrift / Fach: Chemie
Titel:
OSIPE - a tool for scientific programming in FORTRAN.
Autor(in):
Colonna, Francois; Jolly, Luc-Henri; Poirier, Raymond A.; Angyan, Janos G.; Jansen, Georg im Online-Personal- und -Vorlesungsverzeichnis LSF anzeigen
Erscheinungsjahr:
1994
Erschienen in:
Computer Physics Communications (Comput.Phys.Commun.), Jg. 81 (1994), Heft 3, S. 293 - 317
ISSN:

Abstract:

FORTRAN tools have been designed to support well-structured, modular, route-independent and easily interfaceable programming. This set of tools, which creates a kind of low-level object-oriented programming environment, is referred to as OSIPE (Open Structured Interfaceable Programming Environment). Its main role is to transform meaningful FORTRAN variables into Objects which are linked via \"created-by\" relationships. Two programs, written in the OSIPE environment, an ab initio electronic structure code, MUNGAUSS, and a novel implementation of a quantum chem. solvent effect theory, SOLVENT, are briefly described. Efficient tools are provided to restructure existing FORTRAN codes and make them compatible with the OSIPE environment.