Colonna, Francois; Jolly, Luc-Henri; Poirier, Raymond A.; Angyan, Janos G.; Jansen, Georg:

OSIPE - a tool for scientific programming in FORTRAN.

In: Computer Physics Communications (Comput.Phys.Commun.), Jg. 81 (1994) ; Nr. 3, S. 293-317
ISSN: 0010-4655
Zeitschriftenaufsatz / Fach: Chemie
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.