Maple programs for generating efficient FORTRAN code for serial and vectorised machines

Published: 11 December 1998| Version 1 | DOI: 10.17632/pbprnzm3rs.1
Contributors:
Claude Gomez,
Tony Scott

Description

Abstract We present two packages written in the language of the Maple Computer Algebra system for creating efficient FORTRAN code. The package called Macrofort provides the user with tools for creating optimised FORTRAN code. Through a realistic application, namely the computation of molecular integrals arising in the area of quantum chemistry, we show how Macrofort can generate optimised FORTRAN code for vectorised machines. The second package called Transfor allows the user to efficiently convert Ma... Title of program: RMAKE Catalogue Id: ADJK_v1_0 Nature of problem Many applications of current and fundamental research involve large problems requiring intensive computation. In the case of quantum chemistry and molecular physics, a computational bottleneck is the numerical calculation of the required molecular integrals to sufficient precision. In general, many computations require fast and efficient matrix calculations. Versions of this program held in the CPC repository in Mendeley Data ADJK_v1_0; RMAKE; 10.1016/S0010-4655(98)00114-3 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)

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