Tonto: a fortran based object-oriented system for quantum chemistry and crystallography

Authors:
Dylan Jayatilaka;Daniel J. Grimwood
Affiliations:
Chemistry, School of Biomedical and Chemical Sciences, University of Western Australia, Crawley, Australia;Chemistry, School of Biomedical and Chemical Sciences, University of Western Australia, Crawley, Australia
Venue:
ICCS'03 Proceedings of the 2003 international conference on Computational science
Year:
2003

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Abstract

Tonto is an object oriented system for computational chemistry. This paper focuses mainly on the Foo, the object oriented language used to implement Tonto. Foo currently translates into Fortran 95. It offers almost all the features of the coming Fortran 2000 except for dynamic types. It goes beyond the Fortran standard in that parameterised types and template-like inheritance mechanisms are provided. Since the method is based on textual inclusion, it generates code which is easy for the compiler and human to understand. Example code is given, and possible future work on the language is discussed.