Title of article
auto_deriv: Tool for automatic differentiation of a fortran code Original Research Article
Author/Authors
S. Stamatiadis، نويسنده , , R. Prosmiti، نويسنده , , S.C Farantos، نويسنده ,
Issue Information
دوهفته نامه با شماره پیاپی سال 2000
Pages
13
From page
343
To page
355
Abstract
auto_deriv is a module comprised of a set of fortran 90 procedures which can be used to calculate the first and second partial derivatives of any continuous function with many independent variables. The function should be expressed as one or more fortran 90 or fortran 77 procedures. A new type of variables is defined and the overloading mechanism of functions and operators provided by the fortran 90 language is extensively used to define the differentiation rules.
Keywords
Non linear mechanics , Automatic differentiation , derivatives , Potential energy surfaces , Fortran 90 , molecular dynamics
Journal title
Computer Physics Communications
Serial Year
2000
Journal title
Computer Physics Communications
Record number
1135375
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